Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:12:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2ZrTeO6.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 81 22 2834 2834 409 Max 82 82 23 2837 2837 411 Sum 2941 2941 819 102087 102087 14759 bravais-lattice index = 14 lattice parameter (alat) = 10.3912 a.u. unit-cell volume = 722.1032 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.391215 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.557459 celldm(5)= 0.557459 celldm(6)= 0.557459 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.557459 0.830205 0.000000 ) a(3) = ( 0.557459 0.297154 0.775203 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.671472 -0.461722 ) b(2) = ( 0.000000 1.204522 -0.461722 ) b(3) = ( 0.000000 0.000000 1.289985 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Te 6.00 127.60000 Te( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0135135 -0.0090739 -0.0062395), wk = 0.0036900 k( 3) = ( 0.0270270 -0.0181479 -0.0124790), wk = 0.0036900 k( 4) = ( 0.0405405 -0.0272218 -0.0187185), wk = 0.0036900 k( 5) = ( 0.0540540 -0.0362958 -0.0249580), wk = 0.0036900 k( 6) = ( 0.0675676 -0.0453697 -0.0311975), wk = 0.0036900 k( 7) = ( 0.0810811 -0.0544437 -0.0374370), wk = 0.0036900 k( 8) = ( 0.0945946 -0.0635176 -0.0436764), wk = 0.0036900 k( 9) = ( 0.1081081 -0.0725915 -0.0499159), wk = 0.0036900 k( 10) = ( 0.1216216 -0.0816655 -0.0561554), wk = 0.0036900 k( 11) = ( 0.1351351 -0.0907394 -0.0623949), wk = 0.0036900 k( 12) = ( 0.1486486 -0.0998134 -0.0686344), wk = 0.0036900 k( 13) = ( 0.1621622 -0.1088873 -0.0748739), wk = 0.0036900 k( 14) = ( 0.1756757 -0.1179613 -0.0811134), wk = 0.0036900 k( 15) = ( 0.1891892 -0.1270352 -0.0873529), wk = 0.0036900 k( 16) = ( 0.2027027 -0.1361091 -0.0935924), wk = 0.0036900 k( 17) = ( 0.2162162 -0.1451831 -0.0998319), wk = 0.0036900 k( 18) = ( 0.2297297 -0.1542570 -0.1060714), wk = 0.0036900 k( 19) = ( 0.2432432 -0.1633310 -0.1123109), wk = 0.0036900 k( 20) = ( 0.2567568 -0.1724049 -0.1185504), wk = 0.0036900 k( 21) = ( 0.2702703 -0.1814789 -0.1247899), wk = 0.0036900 k( 22) = ( 0.2837838 -0.1905528 -0.1310294), wk = 0.0036900 k( 23) = ( 0.2972973 -0.1996268 -0.1372688), wk = 0.0036900 k( 24) = ( 0.3108108 -0.2087007 -0.1435083), wk = 0.0036900 k( 25) = ( 0.3243243 -0.2177746 -0.1497478), wk = 0.0036900 k( 26) = ( 0.3378378 -0.2268486 -0.1559873), wk = 0.0036900 k( 27) = ( 0.3513514 -0.2359225 -0.1622268), wk = 0.0036900 k( 28) = ( 0.3648649 -0.2449965 -0.1684663), wk = 0.0036900 k( 29) = ( 0.3783784 -0.2540704 -0.1747058), wk = 0.0036900 k( 30) = ( 0.3918919 -0.2631444 -0.1809453), wk = 0.0036900 k( 31) = ( 0.4054054 -0.2722183 -0.1871848), wk = 0.0036900 k( 32) = ( 0.4189189 -0.2812922 -0.1934243), wk = 0.0036900 k( 33) = ( 0.4324324 -0.2903662 -0.1996638), wk = 0.0036900 k( 34) = ( 0.4459459 -0.2994401 -0.2059033), wk = 0.0036900 k( 35) = ( 0.4594595 -0.3085141 -0.2121428), wk = 0.0036900 k( 36) = ( 0.4729730 -0.3175880 -0.2183823), wk = 0.0036900 k( 37) = ( 0.4864865 -0.3266620 -0.2246218), wk = 0.0036900 k( 38) = ( 0.5000000 -0.3357359 -0.2308612), wk = 0.0036900 k( 39) = ( 0.5000000 -0.3357359 -0.2308612), wk = 0.0036900 k( 40) = ( 0.5000000 -0.3259163 -0.2451416), wk = 0.0036900 k( 41) = ( 0.5000000 -0.3160967 -0.2594220), wk = 0.0036900 k( 42) = ( 0.5000000 -0.3062771 -0.2737024), wk = 0.0036900 k( 43) = ( 0.5000000 -0.2964575 -0.2879828), wk = 0.0036900 k( 44) = ( 0.5000000 -0.2866379 -0.3022632), wk = 0.0036900 k( 45) = ( 0.5000000 -0.2768184 -0.3165436), wk = 0.0036900 k( 46) = ( 0.5000000 -0.2669988 -0.3308240), wk = 0.0036900 k( 47) = ( 0.5000000 -0.2571792 -0.3451044), wk = 0.0036900 k( 48) = ( 0.5000000 -0.2473596 -0.3593848), wk = 0.0036900 k( 49) = ( 0.5000000 -0.2375400 -0.3736652), wk = 0.0036900 k( 50) = ( 0.5000000 -0.2277204 -0.3879456), wk = 0.0036900 k( 51) = ( 0.5000000 -0.2179008 -0.4022260), wk = 0.0036900 k( 52) = ( 0.5000000 -0.2080812 -0.4165064), wk = 0.0036900 k( 53) = ( 0.5000000 -0.1982616 -0.4307868), wk = 0.0036900 k( 54) = ( 0.5000000 -0.1884420 -0.4450671), wk = 0.0036900 k( 55) = ( 0.5000000 -0.1786224 -0.4593475), wk = 0.0036900 k( 56) = ( 0.5000000 -0.1688029 -0.4736279), wk = 0.0036900 k( 57) = ( 0.5000000 -0.1589833 -0.4879083), wk = 0.0036900 k( 58) = ( 0.5000000 -0.1491637 -0.5021887), wk = 0.0036900 k( 59) = ( 0.5000000 -0.1393441 -0.5164691), wk = 0.0036900 k( 60) = ( 0.5000000 -0.1295245 -0.5307495), wk = 0.0036900 k( 61) = ( 0.5000000 -0.1197049 -0.5450299), wk = 0.0036900 k( 62) = ( 0.5000000 -0.1098853 -0.5593103), wk = 0.0036900 k( 63) = ( 0.5000000 -0.1000657 -0.5735907), wk = 0.0036900 k( 64) = ( 0.5000000 -0.0902461 -0.5878711), wk = 0.0036900 k( 65) = ( 0.5000000 -0.0804265 -0.6021515), wk = 0.0036900 k( 66) = ( 0.5000000 -0.0706069 -0.6164319), wk = 0.0036900 k( 67) = ( 0.5000000 -0.0607874 -0.6307122), wk = 0.0036900 k( 68) = ( 0.5000000 -0.0509678 -0.6449926), wk = 0.0036900 k( 69) = ( 0.7635842 0.0895360 -0.2784523), wk = 0.0036900 k( 70) = ( 0.7555968 0.0948993 -0.2644607), wk = 0.0036900 k( 71) = ( 0.7476094 0.1002626 -0.2504692), wk = 0.0036900 k( 72) = ( 0.7396220 0.1056259 -0.2364776), wk = 0.0036900 k( 73) = ( 0.7316346 0.1109892 -0.2224860), wk = 0.0036900 k( 74) = ( 0.7236472 0.1163525 -0.2084944), wk = 0.0036900 k( 75) = ( 0.7156598 0.1217159 -0.1945028), wk = 0.0036900 k( 76) = ( 0.7076724 0.1270792 -0.1805112), wk = 0.0036900 k( 77) = ( 0.6996850 0.1324425 -0.1665196), wk = 0.0036900 k( 78) = ( 0.6916976 0.1378058 -0.1525280), wk = 0.0036900 k( 79) = ( 0.6837102 0.1431691 -0.1385364), wk = 0.0036900 k( 80) = ( 0.6757228 0.1485324 -0.1245448), wk = 0.0036900 k( 81) = ( 0.6677354 0.1538957 -0.1105533), wk = 0.0036900 k( 82) = ( 0.6597480 0.1592591 -0.0965617), wk = 0.0036900 k( 83) = ( 0.6517606 0.1646224 -0.0825701), wk = 0.0036900 k( 84) = ( 0.6437732 0.1699857 -0.0685785), wk = 0.0036900 k( 85) = ( 0.6357858 0.1753490 -0.0545869), wk = 0.0036900 k( 86) = ( 0.6277984 0.1807123 -0.0405953), wk = 0.0036900 k( 87) = ( 0.6198110 0.1860756 -0.0266037), wk = 0.0036900 k( 88) = ( 0.6118236 0.1914389 -0.0126121), wk = 0.0036900 k( 89) = ( 0.6038362 0.1968023 0.0013795), wk = 0.0036900 k( 90) = ( 0.5958488 0.2021656 0.0153711), wk = 0.0036900 k( 91) = ( 0.5878614 0.2075289 0.0293627), wk = 0.0036900 k( 92) = ( 0.5798740 0.2128922 0.0433542), wk = 0.0036900 k( 93) = ( 0.5718866 0.2182555 0.0573458), wk = 0.0036900 k( 94) = ( 0.5638992 0.2236188 0.0713374), wk = 0.0036900 k( 95) = ( 0.5559118 0.2289821 0.0853290), wk = 0.0036900 k( 96) = ( 0.5479244 0.2343454 0.0993206), wk = 0.0036900 k( 97) = ( 0.5399370 0.2397088 0.1133122), wk = 0.0036900 k( 98) = ( 0.5319496 0.2450721 0.1273038), wk = 0.0036900 k( 99) = ( 0.5239622 0.2504354 0.1412954), wk = 0.0036900 k( 100) = ( 0.5159748 0.2557987 0.1552870), wk = 0.0036900 k( 101) = ( 0.5079874 0.2611620 0.1692786), wk = 0.0036900 k( 102) = ( 0.5000000 0.2665253 0.1832702), wk = 0.0036900 k( 103) = ( 0.5000000 0.2665253 0.1832702), wk = 0.0036900 k( 104) = ( 0.4857143 0.2589103 0.1780339), wk = 0.0036900 k( 105) = ( 0.4714286 0.2512953 0.1727976), wk = 0.0036900 k( 106) = ( 0.4571429 0.2436803 0.1675613), wk = 0.0036900 k( 107) = ( 0.4428571 0.2360653 0.1623250), wk = 0.0036900 k( 108) = ( 0.4285714 0.2284503 0.1570887), wk = 0.0036900 k( 109) = ( 0.4142857 0.2208353 0.1518524), wk = 0.0036900 k( 110) = ( 0.4000000 0.2132203 0.1466161), wk = 0.0036900 k( 111) = ( 0.3857143 0.2056053 0.1413798), wk = 0.0036900 k( 112) = ( 0.3714286 0.1979902 0.1361435), wk = 0.0036900 k( 113) = ( 0.3571429 0.1903752 0.1309073), wk = 0.0036900 k( 114) = ( 0.3428571 0.1827602 0.1256710), wk = 0.0036900 k( 115) = ( 0.3285714 0.1751452 0.1204347), wk = 0.0036900 k( 116) = ( 0.3142857 0.1675302 0.1151984), wk = 0.0036900 k( 117) = ( 0.3000000 0.1599152 0.1099621), wk = 0.0036900 k( 118) = ( 0.2857143 0.1523002 0.1047258), wk = 0.0036900 k( 119) = ( 0.2714286 0.1446852 0.0994895), wk = 0.0036900 k( 120) = ( 0.2571429 0.1370702 0.0942532), wk = 0.0036900 k( 121) = ( 0.2428571 0.1294552 0.0890169), wk = 0.0036900 k( 122) = ( 0.2285714 0.1218402 0.0837806), wk = 0.0036900 k( 123) = ( 0.2142857 0.1142251 0.0785443), wk = 0.0036900 k( 124) = ( 0.2000000 0.1066101 0.0733081), wk = 0.0036900 k( 125) = ( 0.1857143 0.0989951 0.0680718), wk = 0.0036900 k( 126) = ( 0.1714286 0.0913801 0.0628355), wk = 0.0036900 k( 127) = ( 0.1571429 0.0837651 0.0575992), wk = 0.0036900 k( 128) = ( 0.1428571 0.0761501 0.0523629), wk = 0.0036900 k( 129) = ( 0.1285714 0.0685351 0.0471266), wk = 0.0036900 k( 130) = ( 0.1142857 0.0609201 0.0418903), wk = 0.0036900 k( 131) = ( 0.1000000 0.0533051 0.0366540), wk = 0.0036900 k( 132) = ( 0.0857143 0.0456901 0.0314177), wk = 0.0036900 k( 133) = ( 0.0714286 0.0380750 0.0261814), wk = 0.0036900 k( 134) = ( 0.0571429 0.0304600 0.0209452), wk = 0.0036900 k( 135) = ( 0.0428571 0.0228450 0.0157089), wk = 0.0036900 k( 136) = ( 0.0285714 0.0152300 0.0104726), wk = 0.0036900 k( 137) = ( 0.0142857 0.0076150 0.0052363), wk = 0.0036900 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 140) = ( 0.0081824 -0.0054943 -0.0143332), wk = 0.0036900 k( 141) = ( 0.0163648 -0.0109885 -0.0286663), wk = 0.0036900 k( 142) = ( 0.0245472 -0.0164827 -0.0429995), wk = 0.0036900 k( 143) = ( 0.0327296 -0.0219770 -0.0573327), wk = 0.0036900 k( 144) = ( 0.0409120 -0.0274712 -0.0716659), wk = 0.0036900 k( 145) = ( 0.0490944 -0.0329655 -0.0859990), wk = 0.0036900 k( 146) = ( 0.0572768 -0.0384597 -0.1003322), wk = 0.0036900 k( 147) = ( 0.0654592 -0.0439540 -0.1146654), wk = 0.0036900 k( 148) = ( 0.0736416 -0.0494482 -0.1289985), wk = 0.0036900 k( 149) = ( 0.0818240 -0.0549425 -0.1433317), wk = 0.0036900 k( 150) = ( 0.0900064 -0.0604367 -0.1576649), wk = 0.0036900 k( 151) = ( 0.0981888 -0.0659310 -0.1719980), wk = 0.0036900 k( 152) = ( 0.1063712 -0.0714252 -0.1863312), wk = 0.0036900 k( 153) = ( 0.1145536 -0.0769195 -0.2006644), wk = 0.0036900 k( 154) = ( 0.1227360 -0.0824137 -0.2149976), wk = 0.0036900 k( 155) = ( 0.1309184 -0.0879080 -0.2293307), wk = 0.0036900 k( 156) = ( 0.1391008 -0.0934022 -0.2436639), wk = 0.0036900 k( 157) = ( 0.1472832 -0.0988965 -0.2579971), wk = 0.0036900 k( 158) = ( 0.1554656 -0.1043907 -0.2723302), wk = 0.0036900 k( 159) = ( 0.1636480 -0.1098850 -0.2866634), wk = 0.0036900 k( 160) = ( 0.1718303 -0.1153792 -0.3009966), wk = 0.0036900 k( 161) = ( 0.1800127 -0.1208735 -0.3153297), wk = 0.0036900 k( 162) = ( 0.1881952 -0.1263677 -0.3296629), wk = 0.0036900 k( 163) = ( 0.1963776 -0.1318620 -0.3439961), wk = 0.0036900 k( 164) = ( 0.2045599 -0.1373562 -0.3583292), wk = 0.0036900 k( 165) = ( 0.2127423 -0.1428505 -0.3726624), wk = 0.0036900 k( 166) = ( 0.2209247 -0.1483447 -0.3869956), wk = 0.0036900 k( 167) = ( 0.2291071 -0.1538390 -0.4013288), wk = 0.0036900 k( 168) = ( 0.2372895 -0.1593332 -0.4156619), wk = 0.0036900 k( 169) = ( 0.2454719 -0.1648275 -0.4299951), wk = 0.0036900 k( 170) = ( 0.2536543 -0.1703217 -0.4443283), wk = 0.0036900 k( 171) = ( 0.2618367 -0.1758160 -0.4586614), wk = 0.0036900 k( 172) = ( 0.2700191 -0.1813102 -0.4729946), wk = 0.0036900 k( 173) = ( 0.2782015 -0.1868045 -0.4873278), wk = 0.0036900 k( 174) = ( 0.2863839 -0.1922987 -0.5016609), wk = 0.0036900 k( 175) = ( 0.2945663 -0.1977930 -0.5159941), wk = 0.0036900 k( 176) = ( 0.3027487 -0.2032872 -0.5303273), wk = 0.0036900 k( 177) = ( 0.3109311 -0.2087815 -0.5446605), wk = 0.0036900 k( 178) = ( 0.3191135 -0.2142757 -0.5589936), wk = 0.0036900 k( 179) = ( 0.3272959 -0.2197700 -0.5733268), wk = 0.0036900 k( 180) = ( 0.3354783 -0.2252642 -0.5876600), wk = 0.0036900 k( 181) = ( 0.3436607 -0.2307585 -0.6019931), wk = 0.0036900 k( 182) = ( 0.3518431 -0.2362527 -0.6163263), wk = 0.0036900 k( 183) = ( 0.3600255 -0.2417470 -0.6306595), wk = 0.0036900 k( 184) = ( 0.3682079 -0.2472412 -0.6449926), wk = 0.0036900 k( 185) = ( 0.6317921 0.0192841 -0.4617225), wk = 0.0036900 k( 186) = ( 0.6240396 0.0338277 -0.4617225), wk = 0.0036900 k( 187) = ( 0.6162872 0.0483713 -0.4617225), wk = 0.0036900 k( 188) = ( 0.6085347 0.0629149 -0.4617225), wk = 0.0036900 k( 189) = ( 0.6007822 0.0774585 -0.4617225), wk = 0.0036900 k( 190) = ( 0.5930297 0.0920021 -0.4617225), wk = 0.0036900 k( 191) = ( 0.5852772 0.1065457 -0.4617225), wk = 0.0036900 k( 192) = ( 0.5775248 0.1210893 -0.4617225), wk = 0.0036900 k( 193) = ( 0.5697723 0.1356329 -0.4617225), wk = 0.0036900 k( 194) = ( 0.5620198 0.1501765 -0.4617225), wk = 0.0036900 k( 195) = ( 0.5542673 0.1647201 -0.4617225), wk = 0.0036900 k( 196) = ( 0.5465149 0.1792637 -0.4617225), wk = 0.0036900 k( 197) = ( 0.5387624 0.1938073 -0.4617225), wk = 0.0036900 k( 198) = ( 0.5310099 0.2083509 -0.4617225), wk = 0.0036900 k( 199) = ( 0.5232574 0.2228945 -0.4617225), wk = 0.0036900 k( 200) = ( 0.5155049 0.2374381 -0.4617225), wk = 0.0036900 k( 201) = ( 0.5077525 0.2519817 -0.4617225), wk = 0.0036900 k( 202) = ( 0.5000000 0.2665253 -0.4617225), wk = 0.0036900 k( 203) = ( 0.5000000 0.2665253 -0.4617225), wk = 0.0036900 k( 204) = ( 0.5094137 0.2715433 -0.4486318), wk = 0.0036900 k( 205) = ( 0.5188274 0.2765613 -0.4355410), wk = 0.0036900 k( 206) = ( 0.5282412 0.2815793 -0.4224503), wk = 0.0036900 k( 207) = ( 0.5376549 0.2865973 -0.4093596), wk = 0.0036900 k( 208) = ( 0.5470686 0.2916153 -0.3962689), wk = 0.0036900 k( 209) = ( 0.5564823 0.2966333 -0.3831781), wk = 0.0036900 k( 210) = ( 0.5658960 0.3016513 -0.3700874), wk = 0.0036900 k( 211) = ( 0.5753098 0.3066693 -0.3569967), wk = 0.0036900 k( 212) = ( 0.5847235 0.3116872 -0.3439060), wk = 0.0036900 k( 213) = ( 0.5941372 0.3167052 -0.3308152), wk = 0.0036900 k( 214) = ( 0.6035509 0.3217232 -0.3177245), wk = 0.0036900 k( 215) = ( 0.6129647 0.3267412 -0.3046338), wk = 0.0036900 k( 216) = ( 0.6223784 0.3317592 -0.2915431), wk = 0.0036900 k( 217) = ( 0.6317921 0.3367772 -0.2784523), wk = 0.0036900 k( 218) = ( 0.6317921 0.3367772 -0.2784523), wk = 0.0036900 k( 219) = ( 0.6270852 0.3342682 -0.2619623), wk = 0.0036900 k( 220) = ( 0.6223784 0.3317592 -0.2454722), wk = 0.0036900 k( 221) = ( 0.6176715 0.3292502 -0.2289821), wk = 0.0036900 k( 222) = ( 0.6129647 0.3267412 -0.2124920), wk = 0.0036900 k( 223) = ( 0.6082578 0.3242322 -0.1960019), wk = 0.0036900 k( 224) = ( 0.6035509 0.3217232 -0.1795118), wk = 0.0036900 k( 225) = ( 0.5988441 0.3192142 -0.1630217), wk = 0.0036900 k( 226) = ( 0.5941372 0.3167052 -0.1465316), wk = 0.0036900 k( 227) = ( 0.5894303 0.3141962 -0.1300415), wk = 0.0036900 k( 228) = ( 0.5847235 0.3116872 -0.1135514), wk = 0.0036900 k( 229) = ( 0.5800166 0.3091783 -0.0970614), wk = 0.0036900 k( 230) = ( 0.5753098 0.3066693 -0.0805713), wk = 0.0036900 k( 231) = ( 0.5706029 0.3041603 -0.0640812), wk = 0.0036900 k( 232) = ( 0.5658960 0.3016513 -0.0475911), wk = 0.0036900 k( 233) = ( 0.5611892 0.2991423 -0.0311010), wk = 0.0036900 k( 234) = ( 0.5564823 0.2966333 -0.0146109), wk = 0.0036900 k( 235) = ( 0.5517755 0.2941243 0.0018792), wk = 0.0036900 k( 236) = ( 0.5470686 0.2916153 0.0183693), wk = 0.0036900 k( 237) = ( 0.5423617 0.2891063 0.0348594), wk = 0.0036900 k( 238) = ( 0.5376549 0.2865973 0.0513494), wk = 0.0036900 k( 239) = ( 0.5329480 0.2840883 0.0678395), wk = 0.0036900 k( 240) = ( 0.5282412 0.2815793 0.0843296), wk = 0.0036900 k( 241) = ( 0.5235343 0.2790703 0.1008197), wk = 0.0036900 k( 242) = ( 0.5188274 0.2765613 0.1173098), wk = 0.0036900 k( 243) = ( 0.5141206 0.2740523 0.1337999), wk = 0.0036900 k( 244) = ( 0.5094137 0.2715433 0.1502900), wk = 0.0036900 k( 245) = ( 0.5047069 0.2690343 0.1667801), wk = 0.0036900 k( 246) = ( 0.5000000 0.2665253 0.1832702), wk = 0.0036900 k( 247) = ( 0.5000000 -0.3357359 -0.2308612), wk = 0.0036900 k( 248) = ( 0.5109827 -0.3246307 -0.2232250), wk = 0.0036900 k( 249) = ( 0.5219653 -0.3135255 -0.2155887), wk = 0.0036900 k( 250) = ( 0.5329480 -0.3024202 -0.2079525), wk = 0.0036900 k( 251) = ( 0.5439307 -0.2913150 -0.2003162), wk = 0.0036900 k( 252) = ( 0.5549134 -0.2802098 -0.1926800), wk = 0.0036900 k( 253) = ( 0.5658960 -0.2691046 -0.1850437), wk = 0.0036900 k( 254) = ( 0.5768787 -0.2579993 -0.1774074), wk = 0.0036900 k( 255) = ( 0.5878614 -0.2468941 -0.1697712), wk = 0.0036900 k( 256) = ( 0.5988441 -0.2357889 -0.1621349), wk = 0.0036900 k( 257) = ( 0.6098267 -0.2246837 -0.1544987), wk = 0.0036900 k( 258) = ( 0.6208094 -0.2135785 -0.1468624), wk = 0.0036900 k( 259) = ( 0.6317921 -0.2024732 -0.1392262), wk = 0.0036900 k( 260) = ( 0.6427748 -0.1913680 -0.1315899), wk = 0.0036900 k( 261) = ( 0.6537574 -0.1802628 -0.1239537), wk = 0.0036900 k( 262) = ( 0.6647401 -0.1691576 -0.1163174), wk = 0.0036900 k( 263) = ( 0.6757228 -0.1580524 -0.1086811), wk = 0.0036900 k( 264) = ( 0.6867055 -0.1469471 -0.1010449), wk = 0.0036900 k( 265) = ( 0.6976881 -0.1358419 -0.0934086), wk = 0.0036900 k( 266) = ( 0.7086708 -0.1247367 -0.0857724), wk = 0.0036900 k( 267) = ( 0.7196535 -0.1136315 -0.0781361), wk = 0.0036900 k( 268) = ( 0.7306362 -0.1025262 -0.0704999), wk = 0.0036900 k( 269) = ( 0.7416189 -0.0914210 -0.0628636), wk = 0.0036900 k( 270) = ( 0.7526015 -0.0803158 -0.0552274), wk = 0.0036900 k( 271) = ( 0.7635842 -0.0692106 -0.0475911), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0135135 -0.0000000 0.0000000), wk = 0.0036900 k( 3) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0405405 -0.0000000 -0.0000000), wk = 0.0036900 k( 5) = ( 0.0540540 -0.0000000 -0.0000000), wk = 0.0036900 k( 6) = ( 0.0675676 -0.0000000 0.0000000), wk = 0.0036900 k( 7) = ( 0.0810811 -0.0000000 -0.0000000), wk = 0.0036900 k( 8) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0036900 k( 9) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0036900 k( 10) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0036900 k( 11) = ( 0.1351351 -0.0000000 0.0000000), wk = 0.0036900 k( 12) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1621622 -0.0000000 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0036900 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0036900 k( 16) = ( 0.2027027 -0.0000000 -0.0000000), wk = 0.0036900 k( 17) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0036900 k( 20) = ( 0.2567568 -0.0000000 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0036900 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0036900 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0036900 k( 25) = ( 0.3243243 -0.0000000 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3648649 -0.0000000 0.0000000), wk = 0.0036900 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0036900 k( 30) = ( 0.3918919 -0.0000000 -0.0000000), wk = 0.0036900 k( 31) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0036900 k( 32) = ( 0.4189189 -0.0000000 -0.0000000), wk = 0.0036900 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0036900 k( 35) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0036900 k( 36) = ( 0.4729730 -0.0000000 -0.0000000), wk = 0.0036900 k( 37) = ( 0.4864865 0.0000000 -0.0000000), wk = 0.0036900 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 40) = ( 0.5000000 0.0081523 -0.0081523), wk = 0.0036900 k( 41) = ( 0.5000000 0.0163045 -0.0163045), wk = 0.0036900 k( 42) = ( 0.5000000 0.0244568 -0.0244568), wk = 0.0036900 k( 43) = ( 0.5000000 0.0326091 -0.0326091), wk = 0.0036900 k( 44) = ( 0.5000000 0.0407613 -0.0407614), wk = 0.0036900 k( 45) = ( 0.5000000 0.0489136 -0.0489136), wk = 0.0036900 k( 46) = ( 0.5000000 0.0570659 -0.0570659), wk = 0.0036900 k( 47) = ( 0.5000000 0.0652182 -0.0652182), wk = 0.0036900 k( 48) = ( 0.5000000 0.0733704 -0.0733704), wk = 0.0036900 k( 49) = ( 0.5000000 0.0815227 -0.0815227), wk = 0.0036900 k( 50) = ( 0.5000000 0.0896750 -0.0896750), wk = 0.0036900 k( 51) = ( 0.5000000 0.0978272 -0.0978272), wk = 0.0036900 k( 52) = ( 0.5000000 0.1059795 -0.1059795), wk = 0.0036900 k( 53) = ( 0.5000000 0.1141318 -0.1141318), wk = 0.0036900 k( 54) = ( 0.5000000 0.1222840 -0.1222840), wk = 0.0036900 k( 55) = ( 0.5000000 0.1304363 -0.1304363), wk = 0.0036900 k( 56) = ( 0.5000000 0.1385886 -0.1385886), wk = 0.0036900 k( 57) = ( 0.5000000 0.1467408 -0.1467408), wk = 0.0036900 k( 58) = ( 0.5000000 0.1548931 -0.1548931), wk = 0.0036900 k( 59) = ( 0.5000000 0.1630454 -0.1630454), wk = 0.0036900 k( 60) = ( 0.5000000 0.1711976 -0.1711976), wk = 0.0036900 k( 61) = ( 0.5000000 0.1793499 -0.1793499), wk = 0.0036900 k( 62) = ( 0.5000000 0.1875022 -0.1875022), wk = 0.0036900 k( 63) = ( 0.5000000 0.1956545 -0.1956545), wk = 0.0036900 k( 64) = ( 0.5000000 0.2038067 -0.2038067), wk = 0.0036900 k( 65) = ( 0.5000000 0.2119590 -0.2119590), wk = 0.0036900 k( 66) = ( 0.5000000 0.2201113 -0.2201113), wk = 0.0036900 k( 67) = ( 0.5000000 0.2282635 -0.2282635), wk = 0.0036900 k( 68) = ( 0.5000000 0.2364158 -0.2364158), wk = 0.0036900 k( 69) = ( 0.7635842 0.5000000 0.2364158), wk = 0.0036900 k( 70) = ( 0.7555968 0.5000000 0.2444032), wk = 0.0036900 k( 71) = ( 0.7476094 0.5000000 0.2523906), wk = 0.0036900 k( 72) = ( 0.7396220 0.5000000 0.2603780), wk = 0.0036900 k( 73) = ( 0.7316346 0.5000000 0.2683654), wk = 0.0036900 k( 74) = ( 0.7236472 0.5000000 0.2763528), wk = 0.0036900 k( 75) = ( 0.7156598 0.5000000 0.2843402), wk = 0.0036900 k( 76) = ( 0.7076724 0.5000000 0.2923276), wk = 0.0036900 k( 77) = ( 0.6996850 0.5000000 0.3003150), wk = 0.0036900 k( 78) = ( 0.6916976 0.5000000 0.3083024), wk = 0.0036900 k( 79) = ( 0.6837102 0.5000000 0.3162898), wk = 0.0036900 k( 80) = ( 0.6757228 0.5000000 0.3242772), wk = 0.0036900 k( 81) = ( 0.6677354 0.5000000 0.3322646), wk = 0.0036900 k( 82) = ( 0.6597480 0.5000000 0.3402520), wk = 0.0036900 k( 83) = ( 0.6517606 0.5000000 0.3482394), wk = 0.0036900 k( 84) = ( 0.6437732 0.5000000 0.3562268), wk = 0.0036900 k( 85) = ( 0.6357858 0.5000000 0.3642142), wk = 0.0036900 k( 86) = ( 0.6277984 0.5000000 0.3722016), wk = 0.0036900 k( 87) = ( 0.6198110 0.5000000 0.3801890), wk = 0.0036900 k( 88) = ( 0.6118236 0.5000000 0.3881764), wk = 0.0036900 k( 89) = ( 0.6038362 0.5000000 0.3961638), wk = 0.0036900 k( 90) = ( 0.5958488 0.5000000 0.4041512), wk = 0.0036900 k( 91) = ( 0.5878614 0.5000000 0.4121386), wk = 0.0036900 k( 92) = ( 0.5798740 0.5000000 0.4201260), wk = 0.0036900 k( 93) = ( 0.5718866 0.5000000 0.4281134), wk = 0.0036900 k( 94) = ( 0.5638992 0.5000000 0.4361008), wk = 0.0036900 k( 95) = ( 0.5559118 0.5000000 0.4440882), wk = 0.0036900 k( 96) = ( 0.5479244 0.5000000 0.4520756), wk = 0.0036900 k( 97) = ( 0.5399370 0.5000000 0.4600630), wk = 0.0036900 k( 98) = ( 0.5319496 0.5000000 0.4680504), wk = 0.0036900 k( 99) = ( 0.5239622 0.5000000 0.4760378), wk = 0.0036900 k( 100) = ( 0.5159748 0.5000000 0.4840252), wk = 0.0036900 k( 101) = ( 0.5079874 0.5000000 0.4920126), wk = 0.0036900 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 103) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 104) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0036900 k( 105) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0036900 k( 106) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0036900 k( 107) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0036900 k( 108) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0036900 k( 109) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0036900 k( 110) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0036900 k( 111) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0036900 k( 112) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0036900 k( 113) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0036900 k( 114) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0036900 k( 115) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0036900 k( 116) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0036900 k( 117) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0036900 k( 118) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0036900 k( 119) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0036900 k( 120) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0036900 k( 121) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0036900 k( 122) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0036900 k( 123) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0036900 k( 124) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036900 k( 125) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0036900 k( 126) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0036900 k( 127) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0036900 k( 128) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0036900 k( 129) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0036900 k( 130) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0036900 k( 131) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036900 k( 132) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0036900 k( 133) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0036900 k( 134) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0036900 k( 135) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0036900 k( 136) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0036900 k( 137) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0036900 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 140) = ( 0.0081824 0.0000000 -0.0081824), wk = 0.0036900 k( 141) = ( 0.0163648 0.0000000 -0.0163648), wk = 0.0036900 k( 142) = ( 0.0245472 -0.0000000 -0.0245472), wk = 0.0036900 k( 143) = ( 0.0327296 -0.0000000 -0.0327296), wk = 0.0036900 k( 144) = ( 0.0409120 0.0000000 -0.0409120), wk = 0.0036900 k( 145) = ( 0.0490944 0.0000000 -0.0490944), wk = 0.0036900 k( 146) = ( 0.0572768 0.0000000 -0.0572768), wk = 0.0036900 k( 147) = ( 0.0654592 -0.0000000 -0.0654592), wk = 0.0036900 k( 148) = ( 0.0736416 -0.0000000 -0.0736416), wk = 0.0036900 k( 149) = ( 0.0818240 0.0000000 -0.0818240), wk = 0.0036900 k( 150) = ( 0.0900064 -0.0000000 -0.0900064), wk = 0.0036900 k( 151) = ( 0.0981888 -0.0000000 -0.0981888), wk = 0.0036900 k( 152) = ( 0.1063712 0.0000000 -0.1063712), wk = 0.0036900 k( 153) = ( 0.1145536 -0.0000000 -0.1145536), wk = 0.0036900 k( 154) = ( 0.1227360 0.0000000 -0.1227360), wk = 0.0036900 k( 155) = ( 0.1309184 -0.0000000 -0.1309184), wk = 0.0036900 k( 156) = ( 0.1391008 -0.0000000 -0.1391008), wk = 0.0036900 k( 157) = ( 0.1472832 -0.0000000 -0.1472832), wk = 0.0036900 k( 158) = ( 0.1554656 0.0000000 -0.1554656), wk = 0.0036900 k( 159) = ( 0.1636480 0.0000000 -0.1636480), wk = 0.0036900 k( 160) = ( 0.1718303 -0.0000000 -0.1718303), wk = 0.0036900 k( 161) = ( 0.1800127 -0.0000000 -0.1800127), wk = 0.0036900 k( 162) = ( 0.1881952 -0.0000000 -0.1881952), wk = 0.0036900 k( 163) = ( 0.1963776 -0.0000000 -0.1963776), wk = 0.0036900 k( 164) = ( 0.2045599 0.0000000 -0.2045599), wk = 0.0036900 k( 165) = ( 0.2127423 0.0000000 -0.2127423), wk = 0.0036900 k( 166) = ( 0.2209247 0.0000000 -0.2209247), wk = 0.0036900 k( 167) = ( 0.2291071 -0.0000000 -0.2291071), wk = 0.0036900 k( 168) = ( 0.2372895 -0.0000000 -0.2372895), wk = 0.0036900 k( 169) = ( 0.2454719 -0.0000000 -0.2454719), wk = 0.0036900 k( 170) = ( 0.2536543 0.0000000 -0.2536543), wk = 0.0036900 k( 171) = ( 0.2618367 -0.0000000 -0.2618367), wk = 0.0036900 k( 172) = ( 0.2700191 0.0000000 -0.2700191), wk = 0.0036900 k( 173) = ( 0.2782015 -0.0000000 -0.2782015), wk = 0.0036900 k( 174) = ( 0.2863839 -0.0000000 -0.2863839), wk = 0.0036900 k( 175) = ( 0.2945663 -0.0000000 -0.2945663), wk = 0.0036900 k( 176) = ( 0.3027487 -0.0000000 -0.3027487), wk = 0.0036900 k( 177) = ( 0.3109311 0.0000000 -0.3109311), wk = 0.0036900 k( 178) = ( 0.3191135 -0.0000000 -0.3191135), wk = 0.0036900 k( 179) = ( 0.3272959 -0.0000000 -0.3272959), wk = 0.0036900 k( 180) = ( 0.3354783 -0.0000000 -0.3354783), wk = 0.0036900 k( 181) = ( 0.3436607 0.0000000 -0.3436607), wk = 0.0036900 k( 182) = ( 0.3518431 -0.0000000 -0.3518431), wk = 0.0036900 k( 183) = ( 0.3600255 -0.0000000 -0.3600255), wk = 0.0036900 k( 184) = ( 0.3682079 -0.0000000 -0.3682079), wk = 0.0036900 k( 185) = ( 0.6317921 0.3682079 0.0000000), wk = 0.0036900 k( 186) = ( 0.6240396 0.3759604 -0.0000000), wk = 0.0036900 k( 187) = ( 0.6162872 0.3837128 -0.0000000), wk = 0.0036900 k( 188) = ( 0.6085347 0.3914653 -0.0000000), wk = 0.0036900 k( 189) = ( 0.6007822 0.3992178 -0.0000000), wk = 0.0036900 k( 190) = ( 0.5930297 0.4069703 -0.0000000), wk = 0.0036900 k( 191) = ( 0.5852772 0.4147228 -0.0000000), wk = 0.0036900 k( 192) = ( 0.5775248 0.4224752 0.0000000), wk = 0.0036900 k( 193) = ( 0.5697723 0.4302277 0.0000000), wk = 0.0036900 k( 194) = ( 0.5620198 0.4379802 -0.0000000), wk = 0.0036900 k( 195) = ( 0.5542673 0.4457327 -0.0000000), wk = 0.0036900 k( 196) = ( 0.5465149 0.4534851 0.0000000), wk = 0.0036900 k( 197) = ( 0.5387624 0.4612376 -0.0000000), wk = 0.0036900 k( 198) = ( 0.5310099 0.4689901 -0.0000000), wk = 0.0036900 k( 199) = ( 0.5232574 0.4767426 -0.0000000), wk = 0.0036900 k( 200) = ( 0.5155049 0.4844950 0.0000000), wk = 0.0036900 k( 201) = ( 0.5077525 0.4922475 -0.0000000), wk = 0.0036900 k( 202) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036900 k( 203) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036900 k( 204) = ( 0.5094137 0.5094137 0.0168868), wk = 0.0036900 k( 205) = ( 0.5188274 0.5188274 0.0337737), wk = 0.0036900 k( 206) = ( 0.5282412 0.5282412 0.0506605), wk = 0.0036900 k( 207) = ( 0.5376549 0.5376549 0.0675474), wk = 0.0036900 k( 208) = ( 0.5470686 0.5470686 0.0844342), wk = 0.0036900 k( 209) = ( 0.5564823 0.5564823 0.1013211), wk = 0.0036900 k( 210) = ( 0.5658960 0.5658960 0.1182079), wk = 0.0036900 k( 211) = ( 0.5753098 0.5753098 0.1350947), wk = 0.0036900 k( 212) = ( 0.5847235 0.5847235 0.1519816), wk = 0.0036900 k( 213) = ( 0.5941372 0.5941372 0.1688684), wk = 0.0036900 k( 214) = ( 0.6035509 0.6035509 0.1857553), wk = 0.0036900 k( 215) = ( 0.6129647 0.6129647 0.2026421), wk = 0.0036900 k( 216) = ( 0.6223784 0.6223784 0.2195290), wk = 0.0036900 k( 217) = ( 0.6317921 0.6317921 0.2364158), wk = 0.0036900 k( 218) = ( 0.6317921 0.6317921 0.2364158), wk = 0.0036900 k( 219) = ( 0.6270852 0.6270852 0.2458295), wk = 0.0036900 k( 220) = ( 0.6223784 0.6223784 0.2552432), wk = 0.0036900 k( 221) = ( 0.6176715 0.6176715 0.2646570), wk = 0.0036900 k( 222) = ( 0.6129647 0.6129647 0.2740707), wk = 0.0036900 k( 223) = ( 0.6082578 0.6082578 0.2834844), wk = 0.0036900 k( 224) = ( 0.6035509 0.6035509 0.2928981), wk = 0.0036900 k( 225) = ( 0.5988441 0.5988441 0.3023118), wk = 0.0036900 k( 226) = ( 0.5941372 0.5941372 0.3117256), wk = 0.0036900 k( 227) = ( 0.5894303 0.5894303 0.3211393), wk = 0.0036900 k( 228) = ( 0.5847235 0.5847235 0.3305530), wk = 0.0036900 k( 229) = ( 0.5800166 0.5800166 0.3399667), wk = 0.0036900 k( 230) = ( 0.5753098 0.5753098 0.3493805), wk = 0.0036900 k( 231) = ( 0.5706029 0.5706029 0.3587942), wk = 0.0036900 k( 232) = ( 0.5658960 0.5658960 0.3682079), wk = 0.0036900 k( 233) = ( 0.5611892 0.5611892 0.3776216), wk = 0.0036900 k( 234) = ( 0.5564823 0.5564823 0.3870353), wk = 0.0036900 k( 235) = ( 0.5517755 0.5517755 0.3964491), wk = 0.0036900 k( 236) = ( 0.5470686 0.5470686 0.4058628), wk = 0.0036900 k( 237) = ( 0.5423617 0.5423617 0.4152765), wk = 0.0036900 k( 238) = ( 0.5376549 0.5376549 0.4246902), wk = 0.0036900 k( 239) = ( 0.5329480 0.5329480 0.4341040), wk = 0.0036900 k( 240) = ( 0.5282412 0.5282412 0.4435177), wk = 0.0036900 k( 241) = ( 0.5235343 0.5235343 0.4529314), wk = 0.0036900 k( 242) = ( 0.5188274 0.5188274 0.4623451), wk = 0.0036900 k( 243) = ( 0.5141206 0.5141206 0.4717588), wk = 0.0036900 k( 244) = ( 0.5094137 0.5094137 0.4811726), wk = 0.0036900 k( 245) = ( 0.5047069 0.5047069 0.4905863), wk = 0.0036900 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 247) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 248) = ( 0.5109827 0.0153420 0.0153420), wk = 0.0036900 k( 249) = ( 0.5219653 0.0306840 0.0306840), wk = 0.0036900 k( 250) = ( 0.5329480 0.0460260 0.0460260), wk = 0.0036900 k( 251) = ( 0.5439307 0.0613680 0.0613680), wk = 0.0036900 k( 252) = ( 0.5549134 0.0767100 0.0767100), wk = 0.0036900 k( 253) = ( 0.5658960 0.0920520 0.0920520), wk = 0.0036900 k( 254) = ( 0.5768787 0.1073940 0.1073940), wk = 0.0036900 k( 255) = ( 0.5878614 0.1227360 0.1227360), wk = 0.0036900 k( 256) = ( 0.5988441 0.1380780 0.1380780), wk = 0.0036900 k( 257) = ( 0.6098267 0.1534200 0.1534200), wk = 0.0036900 k( 258) = ( 0.6208094 0.1687619 0.1687619), wk = 0.0036900 k( 259) = ( 0.6317921 0.1841039 0.1841039), wk = 0.0036900 k( 260) = ( 0.6427748 0.1994460 0.1994460), wk = 0.0036900 k( 261) = ( 0.6537574 0.2147879 0.2147879), wk = 0.0036900 k( 262) = ( 0.6647401 0.2301299 0.2301299), wk = 0.0036900 k( 263) = ( 0.6757228 0.2454719 0.2454719), wk = 0.0036900 k( 264) = ( 0.6867055 0.2608139 0.2608139), wk = 0.0036900 k( 265) = ( 0.6976881 0.2761559 0.2761559), wk = 0.0036900 k( 266) = ( 0.7086708 0.2914979 0.2914979), wk = 0.0036900 k( 267) = ( 0.7196535 0.3068399 0.3068399), wk = 0.0036900 k( 268) = ( 0.7306362 0.3221819 0.3221819), wk = 0.0036900 k( 269) = ( 0.7416189 0.3375239 0.3375239), wk = 0.0036900 k( 270) = ( 0.7526015 0.3528659 0.3528659), wk = 0.0036900 k( 271) = ( 0.7635842 0.3682079 0.3682079), wk = 0.0036900 Dense grid: 102087 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.69 Mb ( 730, 62) NL pseudopotentials 0.90 Mb ( 365, 162) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2837) G-vector shells 0.02 Mb ( 2299) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.76 Mb ( 730, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 162, 2, 62) The potential is recalculated from file : ./Li2ZrTeO6.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.3 secs Computing kpt #: 8 total cpu time spent up to now is 14.8 secs Computing kpt #: 9 total cpu time spent up to now is 16.3 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.3 secs Computing kpt #: 12 total cpu time spent up to now is 20.9 secs Computing kpt #: 13 total cpu time spent up to now is 22.5 secs Computing kpt #: 14 total cpu time spent up to now is 24.0 secs Computing kpt #: 15 total cpu time spent up to now is 25.5 secs Computing kpt #: 16 total cpu time spent up to now is 27.1 secs Computing kpt #: 17 total cpu time spent up to now is 28.6 secs Computing kpt #: 18 total cpu time spent up to now is 30.2 secs Computing kpt #: 19 total cpu time spent up to now is 31.7 secs Computing kpt #: 20 total cpu time spent up to now is 33.3 secs Computing kpt #: 21 total cpu time spent up to now is 34.9 secs Computing kpt #: 22 total cpu time spent up to now is 36.5 secs Computing kpt #: 23 total cpu time spent up to now is 38.0 secs Computing kpt #: 24 total cpu time spent up to now is 39.5 secs Computing kpt #: 25 total cpu time spent up to now is 41.1 secs Computing kpt #: 26 total cpu time spent up to now is 42.7 secs Computing kpt #: 27 total cpu time spent up to now is 44.2 secs Computing kpt #: 28 total cpu time spent up to now is 45.8 secs Computing kpt #: 29 total cpu time spent up to now is 47.3 secs Computing kpt #: 30 total cpu time spent up to now is 48.9 secs Computing kpt #: 31 total cpu time spent up to now is 50.4 secs Computing kpt #: 32 total cpu time spent up to now is 51.9 secs Computing kpt #: 33 total cpu time spent up to now is 53.5 secs Computing kpt #: 34 total cpu time spent up to now is 55.1 secs Computing kpt #: 35 total cpu time spent up to now is 56.6 secs Computing kpt #: 36 total cpu time spent up to now is 58.1 secs Computing kpt #: 37 total cpu time spent up to now is 59.7 secs Computing kpt #: 38 total cpu time spent up to now is 61.2 secs Computing kpt #: 39 total cpu time spent up to now is 62.7 secs Computing kpt #: 40 total cpu time spent up to now is 64.3 secs Computing kpt #: 41 total cpu time spent up to now is 65.9 secs Computing kpt #: 42 total cpu time spent up to now is 67.4 secs Computing kpt #: 43 total cpu time spent up to now is 68.9 secs Computing kpt #: 44 total cpu time spent up to now is 70.5 secs Computing kpt #: 45 total cpu time spent up to now is 72.1 secs Computing kpt #: 46 total cpu time spent up to now is 73.8 secs Computing kpt #: 47 total cpu time spent up to now is 75.3 secs Computing kpt #: 48 total cpu time spent up to now is 76.9 secs Computing kpt #: 49 total cpu time spent up to now is 78.5 secs Computing kpt #: 50 total cpu time spent up to now is 80.2 secs Computing kpt #: 51 total cpu time spent up to now is 81.8 secs Computing kpt #: 52 total cpu time spent up to now is 83.4 secs Computing kpt #: 53 total cpu time spent up to now is 85.0 secs Computing kpt #: 54 total cpu time spent up to now is 86.6 secs Computing kpt #: 55 total cpu time spent up to now is 88.2 secs Computing kpt #: 56 total cpu time spent up to now is 89.9 secs Computing kpt #: 57 total cpu time spent up to now is 91.5 secs Computing kpt #: 58 total cpu time spent up to now is 93.1 secs Computing kpt #: 59 total cpu time spent up to now is 94.6 secs Computing kpt #: 60 total cpu time spent up to now is 96.2 secs Computing kpt #: 61 total cpu time spent up to now is 97.8 secs Computing kpt #: 62 total cpu time spent up to now is 99.4 secs Computing kpt #: 63 total cpu time spent up to now is 100.9 secs Computing kpt #: 64 total cpu time spent up to now is 102.5 secs Computing kpt #: 65 total cpu time spent up to now is 104.1 secs Computing kpt #: 66 total cpu time spent up to now is 105.7 secs Computing kpt #: 67 total cpu time spent up to now is 107.3 secs Computing kpt #: 68 total cpu time spent up to now is 108.8 secs Computing kpt #: 69 total cpu time spent up to now is 110.3 secs Computing kpt #: 70 total cpu time spent up to now is 111.9 secs Computing kpt #: 71 total cpu time spent up to now is 113.7 secs Computing kpt #: 72 total cpu time spent up to now is 115.6 secs Computing kpt #: 73 total cpu time spent up to now is 117.1 secs Computing kpt #: 74 total cpu time spent up to now is 118.7 secs Computing kpt #: 75 total cpu time spent up to now is 120.2 secs Computing kpt #: 76 total cpu time spent up to now is 121.7 secs Computing kpt #: 77 total cpu time spent up to now is 123.3 secs Computing kpt #: 78 total cpu time spent up to now is 124.8 secs Computing kpt #: 79 total cpu time spent up to now is 126.4 secs Computing kpt #: 80 total cpu time spent up to now is 127.9 secs Computing kpt #: 81 total cpu time spent up to now is 129.5 secs Computing kpt #: 82 total cpu time spent up to now is 131.0 secs Computing kpt #: 83 total cpu time spent up to now is 132.6 secs Computing kpt #: 84 total cpu time spent up to now is 134.1 secs Computing kpt #: 85 total cpu time spent up to now is 135.7 secs Computing kpt #: 86 total cpu time spent up to now is 137.2 secs Computing kpt #: 87 total cpu time spent up to now is 138.8 secs Computing kpt #: 88 total cpu time spent up to now is 140.3 secs Computing kpt #: 89 total cpu time spent up to now is 141.8 secs Computing kpt #: 90 total cpu time spent up to now is 143.4 secs Computing kpt #: 91 total cpu time spent up to now is 144.9 secs Computing kpt #: 92 total cpu time spent up to now is 146.5 secs Computing kpt #: 93 total cpu time spent up to now is 148.1 secs Computing kpt #: 94 total cpu time spent up to now is 149.6 secs Computing kpt #: 95 total cpu time spent up to now is 151.1 secs Computing kpt #: 96 total cpu time spent up to now is 152.7 secs Computing kpt #: 97 total cpu time spent up to now is 154.2 secs Computing kpt #: 98 total cpu time spent up to now is 155.7 secs Computing kpt #: 99 total cpu time spent up to now is 157.3 secs Computing kpt #: 100 total cpu time spent up to now is 158.8 secs Computing kpt #: 101 total cpu time spent up to now is 160.3 secs Computing kpt #: 102 total cpu time spent up to now is 161.8 secs Computing kpt #: 103 total cpu time spent up to now is 163.3 secs Computing kpt #: 104 total cpu time spent up to now is 164.8 secs Computing kpt #: 105 total cpu time spent up to now is 166.3 secs Computing kpt #: 106 total cpu time spent up to now is 167.9 secs Computing kpt #: 107 total cpu time spent up to now is 169.4 secs Computing kpt #: 108 total cpu time spent up to now is 170.9 secs Computing kpt #: 109 total cpu time spent up to now is 172.5 secs Computing kpt #: 110 total cpu time spent up to now is 174.0 secs Computing kpt #: 111 total cpu time spent up to now is 175.5 secs Computing kpt #: 112 total cpu time spent up to now is 177.0 secs Computing kpt #: 113 total cpu time spent up to now is 178.5 secs Computing kpt #: 114 total cpu time spent up to now is 179.9 secs Computing kpt #: 115 total cpu time spent up to now is 181.4 secs Computing kpt #: 116 total cpu time spent up to now is 182.9 secs Computing kpt #: 117 total cpu time spent up to now is 184.5 secs Computing kpt #: 118 total cpu time spent up to now is 185.9 secs Computing kpt #: 119 total cpu time spent up to now is 187.5 secs Computing kpt #: 120 total cpu time spent up to now is 188.9 secs Computing kpt #: 121 total cpu time spent up to now is 190.4 secs Computing kpt #: 122 total cpu time spent up to now is 191.9 secs Computing kpt #: 123 total cpu time spent up to now is 193.4 secs Computing kpt #: 124 total cpu time spent up to now is 194.9 secs Computing kpt #: 125 total cpu time spent up to now is 196.3 secs Computing kpt #: 126 total cpu time spent up to now is 197.8 secs Computing kpt #: 127 total cpu time spent up to now is 199.3 secs Computing kpt #: 128 total cpu time spent up to now is 200.8 secs Computing kpt #: 129 total cpu time spent up to now is 202.3 secs Computing kpt #: 130 total cpu time spent up to now is 203.8 secs Computing kpt #: 131 total cpu time spent up to now is 205.3 secs Computing kpt #: 132 total cpu time spent up to now is 206.8 secs Computing kpt #: 133 total cpu time spent up to now is 208.3 secs Computing kpt #: 134 total cpu time spent up to now is 209.8 secs Computing kpt #: 135 total cpu time spent up to now is 211.3 secs Computing kpt #: 136 total cpu time spent up to now is 212.8 secs Computing kpt #: 137 total cpu time spent up to now is 214.3 secs Computing kpt #: 138 total cpu time spent up to now is 215.8 secs Computing kpt #: 139 total cpu time spent up to now is 217.3 secs Computing kpt #: 140 total cpu time spent up to now is 218.8 secs Computing kpt #: 141 total cpu time spent up to now is 220.3 secs Computing kpt #: 142 total cpu time spent up to now is 221.8 secs Computing kpt #: 143 total cpu time spent up to now is 223.3 secs Computing kpt #: 144 total cpu time spent up to now is 224.8 secs Computing kpt #: 145 total cpu time spent up to now is 226.3 secs Computing kpt #: 146 total cpu time spent up to now is 227.8 secs Computing kpt #: 147 total cpu time spent up to now is 229.3 secs Computing kpt #: 148 total cpu time spent up to now is 230.8 secs Computing kpt #: 149 total cpu time spent up to now is 232.4 secs Computing kpt #: 150 total cpu time spent up to now is 234.0 secs Computing kpt #: 151 total cpu time spent up to now is 235.6 secs Computing kpt #: 152 total cpu time spent up to now is 237.2 secs Computing kpt #: 153 total cpu time spent up to now is 238.7 secs Computing kpt #: 154 total cpu time spent up to now is 240.3 secs Computing kpt #: 155 total cpu time spent up to now is 241.9 secs Computing kpt #: 156 total cpu time spent up to now is 243.6 secs Computing kpt #: 157 total cpu time spent up to now is 245.2 secs Computing kpt #: 158 total cpu time spent up to now is 246.8 secs Computing kpt #: 159 total cpu time spent up to now is 248.4 secs Computing kpt #: 160 total cpu time spent up to now is 250.0 secs Computing kpt #: 161 total cpu time spent up to now is 251.7 secs Computing kpt #: 162 total cpu time spent up to now is 253.3 secs Computing kpt #: 163 total cpu time spent up to now is 254.9 secs Computing kpt #: 164 total cpu time spent up to now is 256.5 secs Computing kpt #: 165 total cpu time spent up to now is 258.2 secs Computing kpt #: 166 total cpu time spent up to now is 259.8 secs Computing kpt #: 167 total cpu time spent up to now is 261.4 secs Computing kpt #: 168 total cpu time spent up to now is 263.0 secs Computing kpt #: 169 total cpu time spent up to now is 264.7 secs Computing kpt #: 170 total cpu time spent up to now is 266.2 secs Computing kpt #: 171 total cpu time spent up to now is 267.8 secs Computing kpt #: 172 total cpu time spent up to now is 269.4 secs Computing kpt #: 173 total cpu time spent up to now is 271.0 secs Computing kpt #: 174 total cpu time spent up to now is 272.6 secs Computing kpt #: 175 total cpu time spent up to now is 274.2 secs Computing kpt #: 176 total cpu time spent up to now is 275.8 secs Computing kpt #: 177 total cpu time spent up to now is 277.4 secs Computing kpt #: 178 total cpu time spent up to now is 279.0 secs Computing kpt #: 179 total cpu time spent up to now is 280.6 secs Computing kpt #: 180 total cpu time spent up to now is 282.2 secs Computing kpt #: 181 total cpu time spent up to now is 283.8 secs Computing kpt #: 182 total cpu time spent up to now is 285.4 secs Computing kpt #: 183 total cpu time spent up to now is 286.9 secs Computing kpt #: 184 total cpu time spent up to now is 288.5 secs Computing kpt #: 185 total cpu time spent up to now is 290.0 secs Computing kpt #: 186 total cpu time spent up to now is 291.6 secs Computing kpt #: 187 total cpu time spent up to now is 293.2 secs Computing kpt #: 188 total cpu time spent up to now is 294.7 secs Computing kpt #: 189 total cpu time spent up to now is 296.3 secs Computing kpt #: 190 total cpu time spent up to now is 297.8 secs Computing kpt #: 191 total cpu time spent up to now is 299.4 secs Computing kpt #: 192 total cpu time spent up to now is 301.0 secs Computing kpt #: 193 total cpu time spent up to now is 302.5 secs Computing kpt #: 194 total cpu time spent up to now is 304.0 secs Computing kpt #: 195 total cpu time spent up to now is 305.6 secs Computing kpt #: 196 total cpu time spent up to now is 307.2 secs Computing kpt #: 197 total cpu time spent up to now is 308.8 secs Computing kpt #: 198 total cpu time spent up to now is 310.4 secs Computing kpt #: 199 total cpu time spent up to now is 311.9 secs Computing kpt #: 200 total cpu time spent up to now is 313.4 secs Computing kpt #: 201 total cpu time spent up to now is 315.0 secs Computing kpt #: 202 total cpu time spent up to now is 316.6 secs Computing kpt #: 203 total cpu time spent up to now is 318.2 secs Computing kpt #: 204 total cpu time spent up to now is 319.8 secs Computing kpt #: 205 total cpu time spent up to now is 321.4 secs Computing kpt #: 206 total cpu time spent up to now is 323.0 secs Computing kpt #: 207 total cpu time spent up to now is 324.6 secs Computing kpt #: 208 total cpu time spent up to now is 326.2 secs Computing kpt #: 209 total cpu time spent up to now is 327.8 secs Computing kpt #: 210 total cpu time spent up to now is 329.4 secs Computing kpt #: 211 total cpu time spent up to now is 331.0 secs Computing kpt #: 212 total cpu time spent up to now is 332.6 secs Computing kpt #: 213 total cpu time spent up to now is 334.1 secs Computing kpt #: 214 total cpu time spent up to now is 335.6 secs Computing kpt #: 215 total cpu time spent up to now is 337.2 secs Computing kpt #: 216 total cpu time spent up to now is 338.8 secs Computing kpt #: 217 total cpu time spent up to now is 340.5 secs Computing kpt #: 218 total cpu time spent up to now is 342.1 secs Computing kpt #: 219 total cpu time spent up to now is 343.6 secs Computing kpt #: 220 total cpu time spent up to now is 345.3 secs Computing kpt #: 221 total cpu time spent up to now is 346.8 secs Computing kpt #: 222 total cpu time spent up to now is 348.4 secs Computing kpt #: 223 total cpu time spent up to now is 350.0 secs Computing kpt #: 224 total cpu time spent up to now is 351.5 secs Computing kpt #: 225 total cpu time spent up to now is 353.1 secs Computing kpt #: 226 total cpu time spent up to now is 354.7 secs Computing kpt #: 227 total cpu time spent up to now is 356.2 secs Computing kpt #: 228 total cpu time spent up to now is 357.8 secs Computing kpt #: 229 total cpu time spent up to now is 359.4 secs Computing kpt #: 230 total cpu time spent up to now is 361.0 secs Computing kpt #: 231 total cpu time spent up to now is 362.6 secs Computing kpt #: 232 total cpu time spent up to now is 364.1 secs Computing kpt #: 233 total cpu time spent up to now is 365.7 secs Computing kpt #: 234 total cpu time spent up to now is 367.2 secs Computing kpt #: 235 total cpu time spent up to now is 368.8 secs Computing kpt #: 236 total cpu time spent up to now is 370.4 secs Computing kpt #: 237 total cpu time spent up to now is 371.9 secs Computing kpt #: 238 total cpu time spent up to now is 373.6 secs Computing kpt #: 239 total cpu time spent up to now is 375.1 secs Computing kpt #: 240 total cpu time spent up to now is 376.6 secs Computing kpt #: 241 total cpu time spent up to now is 378.1 secs Computing kpt #: 242 total cpu time spent up to now is 379.6 secs Computing kpt #: 243 total cpu time spent up to now is 381.2 secs Computing kpt #: 244 total cpu time spent up to now is 382.7 secs Computing kpt #: 245 total cpu time spent up to now is 384.2 secs Computing kpt #: 246 total cpu time spent up to now is 385.7 secs Computing kpt #: 247 total cpu time spent up to now is 387.3 secs Computing kpt #: 248 total cpu time spent up to now is 388.8 secs Computing kpt #: 249 total cpu time spent up to now is 390.4 secs Computing kpt #: 250 total cpu time spent up to now is 391.9 secs Computing kpt #: 251 total cpu time spent up to now is 393.5 secs Computing kpt #: 252 total cpu time spent up to now is 395.0 secs Computing kpt #: 253 total cpu time spent up to now is 396.6 secs Computing kpt #: 254 total cpu time spent up to now is 398.2 secs Computing kpt #: 255 total cpu time spent up to now is 399.8 secs Computing kpt #: 256 total cpu time spent up to now is 401.3 secs Computing kpt #: 257 total cpu time spent up to now is 402.9 secs Computing kpt #: 258 total cpu time spent up to now is 404.5 secs Computing kpt #: 259 total cpu time spent up to now is 406.0 secs Computing kpt #: 260 total cpu time spent up to now is 407.6 secs Computing kpt #: 261 total cpu time spent up to now is 409.2 secs Computing kpt #: 262 total cpu time spent up to now is 410.8 secs Computing kpt #: 263 total cpu time spent up to now is 412.3 secs Computing kpt #: 264 total cpu time spent up to now is 414.3 secs Computing kpt #: 265 total cpu time spent up to now is 416.1 secs Computing kpt #: 266 total cpu time spent up to now is 417.7 secs Computing kpt #: 267 total cpu time spent up to now is 419.2 secs Computing kpt #: 268 total cpu time spent up to now is 420.8 secs Computing kpt #: 269 total cpu time spent up to now is 422.4 secs Computing kpt #: 270 total cpu time spent up to now is 424.0 secs Computing kpt #: 271 total cpu time spent up to now is 425.6 secs ethr = 1.92E-08, avg # of iterations = 25.1 total cpu time spent up to now is 425.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12713 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3541 -13.3541 -11.1420 -11.1420 -11.1006 -11.1006 -10.8718 -10.8718 -10.5191 -10.5191 -10.4914 -10.4914 -4.1900 -4.1900 0.4915 0.4915 0.8069 0.8069 1.0233 1.0233 1.6605 1.6605 1.6646 1.6646 1.7205 1.7205 2.3106 2.3106 2.3118 2.3118 4.1994 4.1994 4.4990 4.4990 4.8670 4.8670 4.8894 4.8894 5.1025 5.1025 5.1255 5.1255 5.3199 5.3199 5.5370 5.5370 5.5516 5.5516 7.9431 7.9431 11.2868 11.2868 11.4089 11.4089 11.4408 11.4408 12.6780 12.6780 k = 0.0135-0.0091-0.0062 ( 12716 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3536 -13.3535 -11.1460 -11.1400 -11.1025 -11.1008 -10.8748 -10.8670 -10.5205 -10.5173 -10.4923 -10.4902 -4.1890 -4.1890 0.4824 0.4969 0.7993 0.8099 1.0125 1.0266 1.6600 1.6635 1.6658 1.6691 1.7216 1.7219 2.3066 2.3086 2.3202 2.3217 4.1985 4.1995 4.4987 4.4994 4.8631 4.8683 4.8855 4.8910 5.0987 5.1050 5.1221 5.1277 5.3188 5.3200 5.5346 5.5382 5.5492 5.5527 7.9444 7.9452 11.2754 11.2946 11.4029 11.4130 11.4326 11.4504 12.6722 12.6824 k = 0.0270-0.0181-0.0125 ( 12720 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3521 -13.3519 -11.1521 -11.1401 -11.1065 -11.1031 -10.8761 -10.8609 -10.5215 -10.5150 -10.4927 -10.4885 -4.1860 -4.1859 0.4700 0.4988 0.7873 0.8084 0.9950 1.0223 1.6624 1.6657 1.6752 1.6788 1.7252 1.7261 2.3084 2.3114 2.3357 2.3385 4.1967 4.1988 4.4985 4.5000 4.8564 4.8658 4.8803 4.8901 5.0939 5.1059 5.1180 5.1284 5.3167 5.3190 5.5309 5.5378 5.5462 5.5526 7.9490 7.9507 11.2607 11.2981 11.3956 11.4135 11.4282 11.4605 12.6648 12.6853 k = 0.0405-0.0272-0.0187 ( 12715 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3495 -13.3492 -11.1602 -11.1422 -11.1126 -11.1070 -10.8758 -10.8538 -10.5222 -10.5125 -10.4923 -10.4862 -4.1809 -4.1808 0.4542 0.4971 0.7713 0.8022 0.9718 1.0108 1.6667 1.6698 1.6890 1.6937 1.7312 1.7338 2.3156 2.3200 2.3571 2.3618 4.1940 4.1971 4.4983 4.5006 4.8462 4.8570 4.8767 4.8875 5.0883 5.1035 5.1145 5.1279 5.3136 5.3170 5.5260 5.5342 5.5439 5.5515 7.9569 7.9594 11.2430 11.2970 11.3872 11.4086 11.4294 11.4708 12.6556 12.6868 k = 0.0541-0.0363-0.0250 ( 12711 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7225 -13.3459 -13.3456 -11.1704 -11.1464 -11.1201 -11.1122 -10.8743 -10.8463 -10.5228 -10.5101 -10.4907 -10.4832 -4.1738 -4.1736 0.4353 0.4918 0.7517 0.7914 0.9446 0.9931 1.6727 1.6758 1.7057 1.7122 1.7399 1.7462 2.3279 2.3341 2.3846 2.3913 4.1904 4.1945 4.4980 4.5010 4.8321 4.8426 4.8740 4.8835 5.0818 5.0973 5.1125 5.1261 5.3098 5.3140 5.5195 5.5275 5.5427 5.5497 7.9678 7.9711 11.2224 11.2911 11.3784 11.4013 11.4335 11.4810 12.6441 12.6864 k = 0.0676-0.0454-0.0312 ( 12715 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7225 -13.3413 -13.3408 -11.1823 -11.1531 -11.1286 -11.1182 -10.8721 -10.8389 -10.5234 -10.5080 -10.4874 -10.4792 -4.1647 -4.1645 0.4135 0.4828 0.7287 0.7761 0.9148 0.9703 1.6802 1.6836 1.7227 1.7323 1.7525 1.7648 2.3451 2.3533 2.4176 2.4264 4.1856 4.1908 4.4975 4.5012 4.8140 4.8242 4.8704 4.8781 5.0748 5.0890 5.1106 5.1231 5.3054 5.3103 5.5117 5.5188 5.5417 5.5475 7.9814 7.9856 11.1992 11.2805 11.3691 11.3929 11.4388 11.4909 12.6301 12.6839 k = 0.0811-0.0544-0.0374 ( 12716 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3356 -13.3351 -11.1957 -11.1626 -11.1372 -11.1249 -10.8698 -10.8323 -10.5237 -10.5065 -10.4825 -10.4742 -4.1538 -4.1536 0.3891 0.4704 0.7028 0.7567 0.8838 0.9438 1.6892 1.6930 1.7388 1.7507 1.7719 1.7895 2.3670 2.3774 2.4558 2.4665 4.1796 4.1858 4.4964 4.5007 4.7922 4.8026 4.8652 4.8709 5.0678 5.0801 5.1077 5.1190 5.3006 5.3060 5.5025 5.5088 5.5406 5.5450 7.9974 8.0025 11.1734 11.2658 11.3592 11.3838 11.4448 11.5004 12.6131 12.6790 k = 0.0946-0.0635-0.0437 ( 12722 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3290 -13.3284 -11.2104 -11.1747 -11.1455 -11.1322 -10.8679 -10.8268 -10.5236 -10.5050 -10.4760 -10.4681 -4.1410 -4.1408 0.3624 0.4544 0.6744 0.7333 0.8526 0.9146 1.6996 1.7039 1.7546 1.7667 1.7980 1.8183 2.3935 2.4062 2.4986 2.5109 4.1720 4.1793 4.4944 4.4993 4.7670 4.7782 4.8576 4.8616 5.0612 5.0713 5.1038 5.1139 5.2957 5.3013 5.4921 5.4977 5.5391 5.5424 8.0156 8.0214 11.1453 11.2478 11.3481 11.3741 11.4514 11.5095 12.5928 12.6712 k = 0.1081-0.0726-0.0499 ( 12734 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7225 -13.3214 -13.3207 -11.2261 -11.1889 -11.1537 -11.1399 -10.8670 -10.8231 -10.5227 -10.5033 -10.4685 -10.4611 -4.1265 -4.1262 0.3335 0.4350 0.6439 0.7066 0.8221 0.8838 1.7115 1.7163 1.7712 1.7829 1.8276 1.8496 2.4245 2.4393 2.5453 2.5589 4.1627 4.1711 4.4909 4.4963 4.7391 4.7516 4.8473 4.8501 5.0557 5.0635 5.0989 5.1078 5.2908 5.2966 5.4808 5.4858 5.5373 5.5396 8.0354 8.0421 11.1151 11.2270 11.3355 11.3638 11.4583 11.5180 12.5691 12.6603 k = 0.1216-0.0817-0.0562 ( 12742 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7225 -13.3129 -13.3121 -11.2426 -11.2046 -11.1621 -11.1481 -10.8673 -10.8214 -10.5208 -10.5010 -10.4600 -10.4531 -4.1103 -4.1100 0.3028 0.4121 0.6117 0.6772 0.7923 0.8524 1.7247 1.7301 1.7892 1.8004 1.8591 1.8824 2.4597 2.4766 2.5952 2.6098 4.1514 4.1608 4.4855 4.4913 4.7090 4.7230 4.8341 4.8367 5.0513 5.0568 5.0932 5.1010 5.2862 5.2919 5.4687 5.4732 5.5352 5.5366 8.0566 8.0640 11.0830 11.2040 11.3212 11.3530 11.4652 11.5258 12.5422 12.6462 k = 0.1351-0.0907-0.0624 ( 12742 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3035 -13.3026 -11.2597 -11.2214 -11.1707 -11.1566 -10.8692 -10.8220 -10.5177 -10.4979 -10.4509 -10.4443 -4.0925 -4.0922 0.2706 0.3859 0.5785 0.6461 0.7634 0.8210 1.7392 1.7451 1.8088 1.8194 1.8917 1.9158 2.4990 2.5178 2.6478 2.6631 4.1376 4.1481 4.4771 4.4833 4.6774 4.6932 4.8186 4.8218 5.0477 5.0513 5.0874 5.0942 5.2819 5.2876 5.4559 5.4599 5.5327 5.5334 8.0786 8.0869 11.0493 11.1790 11.3053 11.3417 11.4719 11.5329 12.5126 12.6288 k = 0.1486-0.0998-0.0686 ( 12744 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.2932 -13.2922 -11.2772 -11.2389 -11.1796 -11.1654 -10.8728 -10.8252 -10.5132 -10.4938 -10.4412 -10.4349 -4.0733 -4.0730 0.2372 0.3564 0.5448 0.6138 0.7350 0.7902 1.7551 1.7615 1.8299 1.8400 1.9249 1.9496 2.5421 2.5628 2.7025 2.7182 4.1212 4.1326 4.4648 4.4713 4.6449 4.6629 4.8022 4.8061 5.0431 5.0467 5.0825 5.0886 5.2782 5.2837 5.4424 5.4461 5.5296 5.5302 8.1013 8.1104 11.0142 11.1525 11.2879 11.3299 11.4780 11.5389 12.4808 12.6084 k = 0.1622-0.1089-0.0749 ( 12745 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.2820 -13.2810 -11.2951 -11.2569 -11.1887 -11.1745 -10.8784 -10.8308 -10.5073 -10.4887 -10.4310 -10.4248 -4.0528 -4.0524 0.2028 0.3238 0.5113 0.5809 0.7072 0.7604 1.7722 1.7791 1.8527 1.8623 1.9586 1.9836 2.5887 2.6110 2.7586 2.7746 4.1017 4.1140 4.4472 4.4541 4.6126 4.6331 4.7860 4.7905 5.0361 5.0415 5.0798 5.0859 5.2750 5.2804 5.4282 5.4316 5.5261 5.5270 8.1242 8.1341 10.9780 11.1246 11.2690 11.3175 11.4834 11.5436 12.4476 12.5853 k = 0.1757-0.1180-0.0811 ( 12738 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2701 -13.2690 -11.3133 -11.2753 -11.1980 -11.1837 -10.8857 -10.8387 -10.5001 -10.4825 -10.4206 -10.4143 -4.0311 -4.0306 0.1677 0.2886 0.4782 0.5476 0.6798 0.7318 1.7905 1.7979 1.8771 1.8862 1.9926 2.0176 2.6385 2.6623 2.8158 2.8317 4.0789 4.0920 4.4232 4.4305 4.5815 4.6046 4.7713 4.7762 5.0269 5.0336 5.0802 5.0868 5.2723 5.2775 5.4135 5.4167 5.5222 5.5235 8.1470 8.1577 10.9411 11.0956 11.2488 11.3045 11.4876 11.5469 12.4141 12.5600 k = 0.1892-0.1270-0.0874 ( 12744 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2575 -13.2563 -11.3316 -11.2941 -11.2074 -11.1931 -10.8948 -10.8489 -10.4918 -10.4755 -10.4099 -10.4034 -4.0083 -4.0078 0.1321 0.2512 0.4460 0.5144 0.6530 0.7044 1.8101 1.8180 1.9030 1.9115 2.0268 2.0515 2.6911 2.7163 2.8735 2.8891 4.0527 4.0664 4.3921 4.3998 4.5524 4.5779 4.7589 4.7639 5.0159 5.0231 5.0838 5.0906 5.2701 5.2752 5.3982 5.4013 5.5181 5.5198 8.1695 8.1810 10.9037 11.0656 11.2274 11.2907 11.4904 11.5485 12.3811 12.5331 k = 0.2027-0.1361-0.0936 ( 12735 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2442 -13.2429 -11.3500 -11.3130 -11.2168 -11.2025 -10.9055 -10.8608 -10.4825 -10.4676 -10.3991 -10.3923 -3.9846 -3.9841 0.0963 0.2121 0.4147 0.4813 0.6271 0.6782 1.8309 1.8392 1.9302 1.9384 2.0613 2.0856 2.7461 2.7723 2.9312 2.9465 4.0230 4.0373 4.3544 4.3624 4.5254 4.5530 4.7491 4.7542 5.0039 5.0112 5.0895 5.0965 5.2682 5.2733 5.3823 5.3854 5.5138 5.5157 8.1914 8.2036 10.8662 11.0351 11.2050 11.2762 11.4914 11.5482 12.3495 12.5054 k = 0.2162-0.1452-0.0998 ( 12743 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2302 -13.2289 -11.3685 -11.3321 -11.2262 -11.2119 -10.9175 -10.8744 -10.4726 -10.4590 -10.3881 -10.3811 -3.9601 -3.9596 0.0605 0.1719 0.3843 0.4486 0.6020 0.6530 1.8529 1.8617 1.9588 1.9665 2.0961 2.1198 2.8030 2.8301 2.9886 3.0033 3.9901 4.0047 4.3110 4.3190 4.5000 4.5293 4.7422 4.7471 4.9914 4.9985 5.0967 5.1039 5.2665 5.2718 5.3660 5.3692 5.5092 5.5114 8.2124 8.2254 10.8289 11.0041 11.1816 11.2610 11.4903 11.5457 12.3200 12.4775 k = 0.2297-0.1543-0.1061 ( 12737 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2158 -13.2144 -11.3869 -11.3512 -11.2356 -11.2212 -10.9306 -10.8892 -10.4623 -10.4499 -10.3771 -10.3698 -3.9351 -3.9346 0.0249 0.1311 0.3550 0.4163 0.5781 0.6288 1.8762 1.8853 1.9885 1.9960 2.1312 2.1543 2.8613 2.8891 3.0452 3.0591 3.9543 3.9690 4.2632 4.2711 4.4755 4.5062 4.7377 4.7426 4.9788 4.9856 5.1048 5.1122 5.2647 5.2705 5.3493 5.3529 5.5044 5.5068 8.2325 8.2461 10.7920 10.9729 11.1573 11.2449 11.4869 11.5411 12.2934 12.4501 k = 0.2432-0.1633-0.1123 ( 12737 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2008 -13.1993 -11.4052 -11.3704 -11.2448 -11.2305 -10.9446 -10.9049 -10.4516 -10.4404 -10.3661 -10.3586 -3.9096 -3.9091 -0.0103 0.0903 0.3266 0.3848 0.5553 0.6055 1.9006 1.9101 2.0191 2.0265 2.1668 2.1891 2.9201 2.9485 3.1006 3.1137 3.9160 3.9307 4.2124 4.2199 4.4513 4.4833 4.7355 4.7402 4.9665 4.9729 5.1132 5.1210 5.2625 5.2690 5.3327 5.3370 5.4995 5.5021 8.2514 8.2657 10.7560 10.9418 11.1322 11.2280 11.4810 11.5342 12.2700 12.4237 k = 0.2568-0.1724-0.1186 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1855 -13.1840 -11.4234 -11.3895 -11.2538 -11.2396 -10.9592 -10.9214 -10.4409 -10.4307 -10.3552 -10.3474 -3.8838 -3.8833 -0.0449 0.0497 0.2992 0.3540 0.5336 0.5831 1.9261 1.9360 2.0506 2.0581 2.2030 2.2245 2.9789 3.0075 3.1546 3.1666 3.8760 3.8904 4.1595 4.1666 4.4270 4.4602 4.7350 4.7396 4.9546 4.9606 5.1215 5.1299 5.2591 5.2668 5.3170 5.3223 5.4944 5.4972 8.2690 8.2839 10.7210 10.9110 11.1063 11.2102 11.4725 11.5253 12.2502 12.3989 k = 0.2703-0.1815-0.1248 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1698 -13.1683 -11.4414 -11.4086 -11.2626 -11.2485 -10.9742 -10.9383 -10.4303 -10.4209 -10.3445 -10.3365 -3.8580 -3.8575 -0.0787 0.0099 0.2729 0.3241 0.5132 0.5616 1.9528 1.9631 2.0828 2.0906 2.2399 2.2605 3.0364 3.0651 3.2067 3.2175 3.8350 3.8491 4.1056 4.1122 4.4025 4.4369 4.7358 4.7404 4.9432 4.9489 5.1292 5.1384 5.2537 5.2629 5.3035 5.3098 5.4893 5.4921 8.2854 8.3007 10.6875 10.8807 11.0799 11.1914 11.4616 11.5144 12.2339 12.3759 k = 0.2838-0.1906-0.1310 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1540 -13.1524 -11.4592 -11.4276 -11.2710 -11.2572 -10.9893 -10.9553 -10.4199 -10.4111 -10.3339 -10.3258 -3.8323 -3.8317 -0.1114 -0.0290 0.2476 0.2953 0.4940 0.5409 1.9806 1.9912 2.1155 2.1238 2.2775 2.2972 3.0911 3.1196 3.2569 3.2662 3.7940 3.8077 4.0518 4.0578 4.3777 4.4133 4.7375 4.7424 4.9325 4.9376 5.1355 5.1458 5.2456 5.2560 5.2942 5.3010 5.4841 5.4870 8.3003 8.3160 10.6556 10.8511 11.0530 11.1717 11.4485 11.5019 12.2210 12.3550 k = 0.2973-0.1996-0.1373 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1381 -13.1365 -11.4767 -11.4463 -11.2791 -11.2656 -11.0044 -10.9723 -10.4098 -10.4015 -10.3236 -10.3155 -3.8068 -3.8063 -0.1430 -0.0667 0.2235 0.2677 0.4760 0.5212 2.0094 2.0204 2.1486 2.1576 2.3159 2.3348 3.1409 3.1688 3.3050 3.3126 3.7543 3.7674 3.9991 4.0045 4.3529 4.3897 4.7397 4.7450 4.9222 4.9267 5.1393 5.1509 5.2359 5.2467 5.2896 5.2957 5.4789 5.4818 8.3139 8.3298 10.6257 10.8224 11.0258 11.1509 11.4339 11.4878 12.2112 12.3363 k = 0.3108-0.2087-0.1435 ( 12757 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1222 -13.1206 -11.4938 -11.4648 -11.2869 -11.2737 -11.0192 -10.9891 -10.4000 -10.3922 -10.3136 -10.3055 -3.7818 -3.7813 -0.1732 -0.1029 0.2005 0.2413 0.4592 0.5025 2.0392 2.0505 2.1819 2.1917 2.3553 2.3732 3.1830 3.2099 3.3508 3.3568 3.7173 3.7299 3.9492 3.9540 4.3283 4.3664 4.7421 4.7479 4.9124 4.9161 5.1390 5.1517 5.2272 5.2383 5.2880 5.2932 5.4737 5.4767 8.3260 8.3421 10.5979 10.7948 10.9986 11.1291 11.4182 11.4726 12.2041 12.3198 k = 0.3243-0.2178-0.1497 ( 12755 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1065 -13.1048 -11.5104 -11.4829 -11.2942 -11.2814 -11.0336 -11.0054 -10.3907 -10.3833 -10.3039 -10.2960 -3.7575 -3.7570 -0.2019 -0.1374 0.1788 0.2162 0.4436 0.4846 2.0699 2.0816 2.2152 2.2260 2.3955 2.4126 3.2139 3.2399 3.3931 3.3983 3.6847 3.6967 3.9038 3.9089 4.3044 4.3438 4.7441 4.7508 4.9028 4.9055 5.1335 5.1464 5.2226 5.2336 5.2880 5.2924 5.4686 5.4716 8.3368 8.3529 10.5726 10.7683 10.9716 11.1064 11.4020 11.4564 12.1994 12.3053 k = 0.3378-0.2268-0.1560 ( 12755 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0910 -13.0894 -11.5264 -11.5006 -11.3010 -11.2888 -11.0473 -11.0212 -10.3818 -10.3749 -10.2947 -10.2870 -3.7340 -3.7336 -0.2290 -0.1702 0.1585 0.1925 0.4293 0.4678 2.1015 2.1134 2.2485 2.2602 2.4366 2.4530 3.2311 3.2561 3.4292 3.4345 3.6587 3.6698 3.8658 3.8729 4.2817 4.3225 4.7453 4.7531 4.8931 4.8949 5.1231 5.1352 5.2230 5.2330 5.2888 5.2926 5.4636 5.4667 8.3462 8.3621 10.5498 10.7429 10.9452 11.0828 11.3859 11.4397 12.1966 12.2926 k = 0.3514-0.2359-0.1622 ( 12751 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0760 -13.0744 -11.5418 -11.5178 -11.3074 -11.2958 -11.0603 -11.0362 -10.3735 -10.3670 -10.2859 -10.2786 -3.7116 -3.7112 -0.2543 -0.2010 0.1395 0.1704 0.4162 0.4521 2.1337 2.1459 2.2815 2.2942 2.4786 2.4942 3.2337 3.2576 3.4534 3.4587 3.6419 3.6517 3.8390 3.8503 4.2608 4.3030 4.7451 4.7544 4.8829 4.8847 5.1095 5.1203 5.2267 5.2357 5.2902 5.2934 5.4588 5.4619 8.3544 8.3700 10.5299 10.7187 10.9198 11.0584 11.3705 11.4228 12.1953 12.2816 k = 0.3649-0.2450-0.1685 ( 12751 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0615 -13.0600 -11.5565 -11.5343 -11.3132 -11.3023 -11.0723 -11.0503 -10.3658 -10.3597 -10.2777 -10.2708 -3.6904 -3.6900 -0.2777 -0.2297 0.1220 0.1497 0.4043 0.4374 2.1664 2.1789 2.3139 2.3275 2.5215 2.5364 3.2229 3.2457 3.4582 3.4630 3.6368 3.6450 3.8279 3.8449 4.2423 4.2860 4.7429 4.7537 4.8720 4.8752 5.0946 5.1042 5.2320 5.2401 5.2919 5.2947 5.4543 5.4573 8.3615 8.3765 10.5128 10.6956 10.8958 11.0336 11.3560 11.4060 12.1951 12.2720 k = 0.3784-0.2541-0.1747 ( 12753 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0478 -13.0463 -11.5702 -11.5500 -11.3185 -11.3084 -11.0834 -11.0635 -10.3586 -10.3530 -10.2700 -10.2636 -3.6706 -3.6702 -0.2990 -0.2563 0.1060 0.1307 0.3937 0.4238 2.1995 2.2121 2.3456 2.3600 2.5651 2.5794 3.2016 3.2231 3.4411 3.4454 3.6407 3.6472 3.8349 3.8577 4.2267 4.2720 4.7378 4.7501 4.8611 4.8661 5.0800 5.0882 5.2378 5.2452 5.2938 5.2962 5.4500 5.4529 8.3675 8.3817 10.4988 10.6734 10.8739 11.0085 11.3427 11.3896 12.1957 12.2636 k = 0.3919-0.2631-0.1809 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0349 -13.0335 -11.5829 -11.5647 -11.3233 -11.3140 -11.0934 -11.0756 -10.3521 -10.3470 -10.2630 -10.2571 -3.6523 -3.6519 -0.3181 -0.2805 0.0917 0.1134 0.3843 0.4113 2.2326 2.2453 2.3761 2.3911 2.6095 2.6231 3.1733 3.1933 3.4080 3.4120 3.6467 3.6520 3.8581 3.8855 4.2144 4.2613 4.7291 4.7424 4.8514 4.8579 5.0666 5.0736 5.2436 5.2504 5.2958 5.2978 5.4461 5.4489 8.3726 8.3858 10.4878 10.6519 10.8546 10.9836 11.3309 11.3740 12.1971 12.2561 k = 0.4054-0.2722-0.1872 ( 12755 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0230 -13.0218 -11.5944 -11.5783 -11.3274 -11.3190 -11.1022 -11.0866 -10.3463 -10.3417 -10.2566 -10.2513 -3.6358 -3.6354 -0.3351 -0.3024 0.0790 0.0978 0.3762 0.4000 2.2653 2.2780 2.4051 2.4206 2.6546 2.6675 3.1409 3.1594 3.3654 3.3696 3.6504 3.6549 3.8925 3.9232 4.2056 4.2540 4.7163 4.7299 4.8435 4.8509 5.0549 5.0607 5.2490 5.2552 5.2979 5.2996 5.4425 5.4451 8.3769 8.3890 10.4800 10.6310 10.8383 10.9590 11.3207 11.3594 12.1988 12.2495 k = 0.4189-0.2813-0.1934 ( 12769 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0124 -13.0112 -11.6045 -11.5906 -11.3309 -11.3236 -11.1098 -11.0964 -10.3412 -10.3372 -10.2509 -10.2463 -3.6211 -3.6208 -0.3496 -0.3218 0.0680 0.0841 0.3694 0.3900 2.2972 2.3096 2.4322 2.4477 2.7002 2.7124 3.1071 3.1238 3.3180 3.3224 3.6512 3.6551 3.9325 3.9658 4.2001 4.2499 4.6994 4.7126 4.8380 4.8452 5.0453 5.0500 5.2540 5.2594 5.3000 5.3014 5.4393 5.4417 8.3804 8.3912 10.4752 10.6107 10.8255 10.9352 11.3121 11.3460 12.2009 12.2436 k = 0.4324-0.2904-0.1997 ( 12771 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0030 -13.0020 -11.6133 -11.6016 -11.3338 -11.3276 -11.1161 -11.1049 -10.3367 -10.3333 -10.2460 -10.2421 -3.6084 -3.6082 -0.3617 -0.3387 0.0588 0.0721 0.3639 0.3811 2.3275 2.3394 2.4569 2.4720 2.7463 2.7577 3.0739 3.0887 3.2681 3.2728 3.6496 3.6529 3.9740 4.0093 4.1976 4.2484 4.6794 4.6916 4.8344 4.8409 5.0376 5.0413 5.2583 5.2630 5.3019 5.3031 5.4366 5.4388 8.3834 8.3926 10.4735 10.5909 10.8164 10.9125 11.3053 11.3339 12.2032 12.2382 k = 0.4459-0.2994-0.2059 ( 12782 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9952 -12.9944 -11.6204 -11.6110 -11.3361 -11.3310 -11.1211 -11.1122 -10.3330 -10.3302 -10.2419 -10.2387 -3.5979 -3.5977 -0.3713 -0.3530 0.0515 0.0621 0.3597 0.3735 2.3555 2.3664 2.4786 2.4927 2.7926 2.8032 3.0434 3.0560 3.2173 3.2223 3.6465 3.6491 4.0138 4.0501 4.1983 4.2487 4.6577 4.6687 4.8323 4.8376 5.0318 5.0346 5.2619 5.2658 5.3037 5.3047 5.4344 5.4362 8.3859 8.3934 10.4748 10.5717 10.8112 10.8912 11.3002 11.3233 12.2057 12.2334 k = 0.4595-0.3085-0.2121 ( 12776 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9889 -12.9883 -11.6258 -11.6187 -11.3377 -11.3339 -11.1248 -11.1181 -10.3300 -10.3279 -10.2385 -10.2361 -3.5896 -3.5895 -0.3784 -0.3647 0.0460 0.0539 0.3568 0.3672 2.3799 2.3892 2.4969 2.5091 2.8385 2.8482 3.0178 3.0277 3.1669 3.1722 3.6428 3.6448 4.0495 4.0843 4.2025 4.2495 4.6367 4.6459 4.8312 4.8352 5.0277 5.0297 5.2648 5.2678 5.3052 5.3060 5.4327 5.4342 8.3879 8.3937 10.4789 10.5535 10.8099 10.8718 11.2968 11.3143 12.2084 12.2289 k = 0.4730-0.3176-0.2184 ( 12769 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9843 -12.9839 -11.6294 -11.6246 -11.3387 -11.3361 -11.1271 -11.1226 -10.3277 -10.3263 -10.2360 -10.2344 -3.5836 -3.5835 -0.3828 -0.3737 0.0424 0.0477 0.3552 0.3622 2.3995 2.4064 2.5114 2.5205 2.8827 2.8910 2.9995 3.0062 3.1183 3.1239 3.6395 3.6408 4.0790 4.1075 4.2113 4.2491 4.6189 4.6259 4.8308 4.8334 5.0250 5.0263 5.2670 5.2690 5.3064 5.3069 5.4316 5.4326 8.3896 8.3935 10.4858 10.5364 10.8122 10.8544 11.2953 11.3070 12.2113 12.2248 k = 0.4865-0.3267-0.2246 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9815 -12.9812 -11.6311 -11.6287 -11.3390 -11.3377 -11.1280 -11.1258 -10.3262 -10.3255 -10.2343 -10.2335 -3.5800 -3.5799 -0.3845 -0.3800 0.0408 0.0434 0.3550 0.3585 2.4129 2.4166 2.5215 2.5264 2.9201 2.9256 2.9922 2.9957 3.0757 3.0805 3.6373 3.6380 4.1009 4.1171 4.2241 4.2453 4.6075 4.6114 4.8308 4.8321 5.0235 5.0242 5.2686 5.2696 5.3072 5.3075 5.4310 5.4315 8.3910 8.3930 10.4953 10.5208 10.8181 10.8395 11.2956 11.3014 12.2143 12.2211 k = 0.5000-0.3357-0.2309 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9804 -12.9804 -11.6309 -11.6309 -11.3387 -11.3387 -11.1276 -11.1276 -10.3255 -10.3255 -10.2335 -10.2335 -3.5787 -3.5787 -0.3836 -0.3836 0.0411 0.0411 0.3561 0.3561 2.4188 2.4188 2.5267 2.5267 2.9376 2.9376 2.9958 2.9958 3.0561 3.0561 3.6368 3.6368 4.1141 4.1141 4.2367 4.2367 4.6048 4.6048 4.8313 4.8313 5.0233 5.0233 5.2694 5.2694 5.3076 5.3076 5.4310 5.4310 8.3922 8.3922 10.5070 10.5070 10.8273 10.8273 11.2976 11.2976 12.2176 12.2176 k = 0.5000-0.3357-0.2309 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9804 -12.9804 -11.6309 -11.6309 -11.3387 -11.3387 -11.1276 -11.1276 -10.3255 -10.3255 -10.2335 -10.2335 -3.5787 -3.5787 -0.3836 -0.3836 0.0411 0.0411 0.3561 0.3561 2.4188 2.4188 2.5267 2.5267 2.9376 2.9376 2.9958 2.9958 3.0561 3.0561 3.6368 3.6368 4.1141 4.1141 4.2367 4.2367 4.6048 4.6048 4.8313 4.8313 5.0233 5.0233 5.2694 5.2694 5.3076 5.3076 5.4310 5.4310 8.3922 8.3922 10.5070 10.5070 10.8273 10.8273 11.2976 11.2976 12.2176 12.2176 k = 0.5000-0.3259-0.2451 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9809 -12.9802 -11.6308 -11.6301 -11.3393 -11.3376 -11.1280 -11.1265 -10.3268 -10.3252 -10.2346 -10.2333 -3.5804 -3.5799 -0.3833 -0.3803 0.0413 0.0427 0.3566 0.3589 2.4193 2.4196 2.5262 2.5273 2.9190 2.9227 3.0102 3.0146 3.0551 3.0556 3.6371 3.6376 4.1073 4.1166 4.2302 4.2422 4.6048 4.6061 4.8296 4.8311 5.0227 5.0233 5.2650 5.2710 5.3056 5.3096 5.4297 5.4328 8.3874 8.3920 10.4988 10.5166 10.8228 10.8342 11.2943 11.3031 12.2166 12.2221 k = 0.5000-0.3161-0.2594 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9816 -12.9803 -11.6298 -11.6283 -11.3396 -11.3362 -11.1277 -11.1246 -10.3292 -10.3260 -10.2366 -10.2341 -3.5850 -3.5839 -0.3793 -0.3732 0.0432 0.0459 0.3604 0.3651 2.4212 2.4218 2.5259 2.5282 2.8881 2.8924 3.0387 3.0454 3.0530 3.0553 3.6386 3.6396 4.0967 4.1142 4.2235 4.2463 4.6060 4.6083 4.8262 4.8292 5.0216 5.0227 5.2586 5.2692 5.3043 5.3110 5.4288 5.4349 8.3779 8.3868 10.4920 10.5271 10.8209 10.8433 11.2933 11.3105 12.2191 12.2300 k = 0.5000-0.3063-0.2737 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9826 -12.9807 -11.6278 -11.6257 -11.3395 -11.3344 -11.1267 -11.1220 -10.3327 -10.3278 -10.2395 -10.2357 -3.5922 -3.5907 -0.3717 -0.3626 0.0469 0.0509 0.3676 0.3747 2.4242 2.4251 2.5258 2.5293 2.8552 2.8594 3.0473 3.0496 3.0748 3.0793 3.6410 3.6425 4.0831 4.1067 4.2177 4.2486 4.6080 4.6112 4.8212 4.8257 5.0199 5.0215 5.2508 5.2644 5.3035 5.3113 5.4283 5.4372 8.3638 8.3769 10.4870 10.5385 10.8217 10.8545 11.2948 11.3197 12.2251 12.2414 k = 0.5000-0.2965-0.2880 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9839 -12.9813 -11.6250 -11.6223 -11.3389 -11.3322 -11.1249 -11.1188 -10.3373 -10.3308 -10.2433 -10.2381 -3.6021 -3.6000 -0.3609 -0.3487 0.0522 0.0578 0.3780 0.3876 2.4282 2.4294 2.5258 2.5307 2.8221 2.8264 3.0433 3.0454 3.1069 3.1121 3.6437 3.6458 4.0671 4.0943 4.2131 4.2495 4.6103 4.6141 4.8146 4.8205 5.0174 5.0196 5.2422 5.2575 5.3027 5.3103 5.4280 5.4395 8.3453 8.3622 10.4838 10.5503 10.8253 10.8675 11.2986 11.3303 12.2345 12.2561 k = 0.5000-0.2866-0.3023 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9853 -12.9821 -11.6214 -11.6179 -11.3380 -11.3297 -11.1223 -11.1148 -10.3430 -10.3350 -10.2477 -10.2413 -3.6145 -3.6119 -0.3470 -0.3317 0.0594 0.0666 0.3917 0.4039 2.4325 2.4342 2.5260 2.5326 2.7898 2.7940 3.0380 3.0404 3.1387 3.1442 3.6465 3.6492 4.0493 4.0780 4.2101 4.2492 4.6122 4.6163 4.8067 4.8141 5.0140 5.0168 5.2331 5.2493 5.3013 5.3081 5.4279 5.4416 8.3229 8.3432 10.4824 10.5624 10.8320 10.8823 11.3048 11.3422 12.2472 12.2740 k = 0.5000-0.2768-0.3165 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9870 -12.9832 -11.6168 -11.6128 -11.3367 -11.3269 -11.1191 -11.1102 -10.3500 -10.3405 -10.2526 -10.2451 -3.6291 -3.6261 -0.3305 -0.3120 0.0684 0.0774 0.4086 0.4235 2.4367 2.4389 2.5267 2.5351 2.7585 2.7629 3.0322 3.0352 3.1692 3.1749 3.6487 3.6522 4.0301 4.0588 4.2086 4.2484 4.6131 4.6171 4.7979 4.8065 5.0097 5.0132 5.2239 5.2405 5.2991 5.3047 5.4276 5.4432 8.2970 8.3201 10.4829 10.5744 10.8416 10.8986 11.3133 11.3550 12.2631 12.2950 k = 0.5000-0.2670-0.3308 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9889 -12.9846 -11.6115 -11.6069 -11.3350 -11.3238 -11.1151 -11.1050 -10.3582 -10.3473 -10.2580 -10.2494 -3.6457 -3.6422 -0.3118 -0.2902 0.0793 0.0906 0.4286 0.4463 2.4398 2.4426 2.5282 2.5384 2.7289 2.7336 3.0265 3.0299 3.1977 3.2035 3.6501 3.6545 4.0102 4.0376 4.2088 4.2477 4.6122 4.6160 4.7882 4.7981 5.0042 5.0084 5.2148 5.2315 5.2960 5.3004 5.4270 5.4443 8.2679 8.2934 10.4853 10.5863 10.8541 10.9163 11.3237 11.3686 12.2820 12.3188 k = 0.5000-0.2572-0.3451 ( 12762 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9909 -12.9862 -11.6054 -11.6003 -11.3328 -11.3204 -11.1104 -11.0991 -10.3677 -10.3556 -10.2637 -10.2542 -3.6640 -3.6602 -0.2915 -0.2668 0.0925 0.1063 0.4516 0.4722 2.4409 2.4443 2.5306 2.5428 2.7015 2.7067 3.0210 3.0250 3.2239 3.2297 3.6504 3.6560 3.9897 4.0150 4.2109 4.2478 4.6090 4.6123 4.7782 4.7892 4.9975 5.0026 5.2061 5.2227 5.2921 5.2952 5.4260 5.4445 8.2362 8.2635 10.4896 10.5980 10.8696 10.9354 11.3358 11.3829 12.3037 12.3451 k = 0.5000-0.2474-0.3594 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9932 -12.9879 -11.5986 -11.5931 -11.3303 -11.3167 -11.1050 -11.0927 -10.3785 -10.3653 -10.2696 -10.2593 -3.6838 -3.6796 -0.2701 -0.2423 0.1081 0.1249 0.4774 0.5010 2.4391 2.4432 2.5338 2.5478 2.6772 2.6829 3.0160 3.0206 3.2472 3.2530 3.6498 3.6567 3.9687 3.9915 4.2152 4.2493 4.6029 4.6056 4.7681 4.7799 4.9897 4.9957 5.1977 5.2142 5.2874 5.2895 5.4243 5.4439 8.2022 8.2309 10.4956 10.6095 10.8877 10.9556 11.3493 11.3975 12.3277 12.3735 k = 0.5000-0.2375-0.3737 ( 12762 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9955 -12.9899 -11.5912 -11.5852 -11.3274 -11.3127 -11.0990 -11.0857 -10.3905 -10.3764 -10.2756 -10.2647 -3.7048 -3.7003 -0.2482 -0.2176 0.1266 0.1466 0.5059 0.5325 2.4340 2.4388 2.5366 2.5522 2.6573 2.6637 3.0116 3.0168 3.2673 3.2730 3.6486 3.6568 3.9472 3.9673 4.2220 4.2526 4.5936 4.5955 4.7582 4.7706 4.9807 4.9876 5.1899 5.2062 5.2820 5.2833 5.4219 5.4423 8.1666 8.1961 10.5034 10.6210 10.9084 10.9769 11.3638 11.4125 12.3536 12.4037 k = 0.5000-0.2277-0.3879 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9980 -12.9920 -11.5832 -11.5769 -11.3240 -11.3083 -11.0923 -11.0782 -10.4037 -10.3890 -10.2816 -10.2703 -3.7267 -3.7219 -0.2264 -0.1933 0.1483 0.1718 0.5369 0.5665 2.4256 2.4311 2.5369 2.5535 2.6437 2.6508 3.0080 3.0138 3.2840 3.2898 3.6471 3.6567 3.9254 3.9427 4.2311 4.2582 4.5809 4.5820 4.7487 4.7614 4.9707 4.9784 5.1826 5.1986 5.2758 5.2770 5.4188 5.4397 8.1297 8.1597 10.5129 10.6325 10.9311 10.9990 11.3790 11.4278 12.3810 12.4348 k = 0.5000-0.2179-0.4022 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0006 -12.9942 -11.5747 -11.5681 -11.3202 -11.3037 -11.0851 -11.0702 -10.4182 -10.4029 -10.2877 -10.2761 -3.7492 -3.7441 -0.2053 -0.1699 0.1735 0.2006 0.5700 0.6027 2.4142 2.4204 2.5327 2.5493 2.6376 2.6455 3.0053 3.0116 3.2976 3.3035 3.6453 3.6562 3.9034 3.9181 4.2426 4.2661 4.5644 4.5656 4.7395 4.7523 4.9599 4.9683 5.1756 5.1915 5.2690 5.2705 5.4148 5.4361 8.0919 8.1220 10.5239 10.6443 10.9557 11.0220 11.3945 11.4434 12.4092 12.4662 k = 0.5000-0.2081-0.4165 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0032 -12.9966 -11.5659 -11.5590 -11.3159 -11.2987 -11.0774 -11.0618 -10.4336 -10.4180 -10.2937 -10.2820 -3.7720 -3.7667 -0.1852 -0.1481 0.2025 0.2332 0.6051 0.6409 2.4004 2.4073 2.5237 2.5396 2.6376 2.6466 3.0039 3.0107 3.3088 3.3148 3.6429 3.6546 3.8820 3.8943 4.2560 4.2760 4.5445 4.5467 4.7307 4.7433 4.9484 4.9574 5.1690 5.1848 5.2619 5.2636 5.4101 5.4315 8.0538 8.0836 10.5365 10.6564 10.9817 11.0456 11.4103 11.4592 12.4374 12.4967 k = 0.5000-0.1983-0.4308 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0059 -12.9991 -11.5567 -11.5497 -11.3111 -11.2934 -11.0693 -11.0532 -10.4500 -10.4342 -10.2996 -10.2879 -3.7949 -3.7894 -0.1665 -0.1282 0.2353 0.2695 0.6416 0.6806 2.3848 2.3923 2.5114 2.5267 2.6402 2.6503 3.0043 3.0115 3.3183 3.3248 3.6384 3.6506 3.8625 3.8725 4.2707 4.2874 4.5218 4.5251 4.7223 4.7347 4.9364 4.9459 5.1626 5.1782 5.2545 5.2565 5.4046 5.4259 8.0158 8.0450 10.5505 10.6692 11.0088 11.0696 11.4260 11.4753 12.4646 12.5249 k = 0.5000-0.1884-0.4451 ( 12770 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0086 -13.0016 -11.5474 -11.5402 -11.3059 -11.2878 -11.0609 -11.0443 -10.4672 -10.4512 -10.3056 -10.2939 -3.8176 -3.8119 -0.1492 -0.1103 0.2718 0.3095 0.6794 0.7215 2.3682 2.3759 2.4977 2.5122 2.6417 2.6529 3.0077 3.0152 3.3275 3.3345 3.6300 3.6422 3.8465 3.8542 4.2859 4.2997 4.4970 4.5015 4.7142 4.7264 4.9242 4.9340 5.1562 5.1718 5.2468 5.2491 5.3983 5.4195 7.9782 8.0066 10.5660 10.6827 11.0367 11.0939 11.4416 11.4916 12.4899 12.5494 k = 0.5000-0.1786-0.4593 ( 12770 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0113 -13.0042 -11.5381 -11.5308 -11.3001 -11.2817 -11.0521 -11.0352 -10.4850 -10.4690 -10.3115 -10.3000 -3.8398 -3.8340 -0.1335 -0.0943 0.3117 0.3526 0.7180 0.7632 2.3509 2.3588 2.4835 2.4974 2.6394 2.6512 3.0154 3.0230 3.3370 3.3447 3.6161 3.6277 3.8351 3.8411 4.3008 4.3119 4.4709 4.4765 4.7067 4.7186 4.9120 4.9220 5.1497 5.1653 5.2389 5.2415 5.3915 5.4123 7.9414 7.9687 10.5827 10.6969 11.0649 11.1183 11.4569 11.5083 12.5120 12.5685 k = 0.5000-0.1688-0.4736 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0139 -13.0068 -11.5289 -11.5215 -11.2937 -11.2752 -11.0433 -11.0261 -10.5033 -10.4873 -10.3173 -10.3059 -3.8613 -3.8554 -0.1193 -0.0801 0.3544 0.3986 0.7570 0.8055 2.3335 2.3415 2.4694 2.4826 2.6313 2.6432 3.0284 3.0360 3.3472 3.3557 3.5959 3.6070 3.8283 3.8335 4.3141 4.3228 4.4445 4.4511 4.7000 4.7116 4.8998 4.9099 5.1429 5.1584 5.2306 5.2339 5.3841 5.4044 7.9058 7.9319 10.6007 10.7120 11.0931 11.1425 11.4721 11.5252 12.5298 12.5813 k = 0.5000-0.1590-0.4879 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0166 -13.0093 -11.5198 -11.5124 -11.2868 -11.2684 -11.0344 -11.0171 -10.5219 -10.5060 -10.3230 -10.3119 -3.8819 -3.8760 -0.1064 -0.0675 0.3996 0.4470 0.7961 0.8478 2.3163 2.3243 2.4556 2.4681 2.6166 2.6283 3.0473 3.0549 3.3578 3.3670 3.5707 3.5818 3.8249 3.8304 4.3239 4.3305 4.4193 4.4270 4.6944 4.7059 4.8880 4.8981 5.1356 5.1510 5.2223 5.2264 5.3762 5.3958 7.8717 7.8964 10.6198 10.7281 11.1210 11.1664 11.4873 11.5424 12.5424 12.5882 k = 0.5000-0.1492-0.5022 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0191 -13.0119 -11.5111 -11.5037 -11.2794 -11.2612 -11.0257 -11.0083 -10.5404 -10.5248 -10.3286 -10.3177 -3.9015 -3.8954 -0.0946 -0.0563 0.4465 0.4972 0.8347 0.8898 2.2996 2.3075 2.4424 2.4540 2.5957 2.6069 3.0719 3.0795 3.3670 3.3768 3.5438 3.5551 3.8234 3.8296 4.3268 4.3323 4.3982 4.4069 4.6906 4.7020 4.8766 4.8866 5.1275 5.1427 5.2139 5.2192 5.3679 5.3868 7.8395 7.8627 10.6399 10.7449 11.1482 11.1897 11.5024 11.5599 12.5488 12.5902 k = 0.5000-0.1393-0.5165 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0216 -13.0143 -11.5027 -11.4954 -11.2716 -11.2537 -11.0171 -10.9999 -10.5588 -10.5435 -10.3340 -10.3233 -3.9197 -3.9136 -0.0839 -0.0462 0.4945 0.5487 0.8724 0.9311 2.2836 2.2914 2.4298 2.4403 2.5696 2.5804 3.1012 3.1091 3.3711 3.3809 3.5211 3.5322 3.8220 3.8289 4.3194 4.3245 4.3850 4.3939 4.6891 4.7004 4.8657 4.8757 5.1185 5.1333 5.2059 5.2124 5.3594 5.3773 7.8095 7.8310 10.6609 10.7627 11.1745 11.2123 11.5178 11.5775 12.5491 12.5889 k = 0.5000-0.1295-0.5307 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0239 -13.0167 -11.4949 -11.4876 -11.2634 -11.2461 -11.0090 -10.9920 -10.5766 -10.5617 -10.3392 -10.3288 -3.9364 -3.9304 -0.0741 -0.0371 0.5430 0.6008 0.9088 0.9713 2.2683 2.2760 2.4177 2.4265 2.5398 2.5508 3.1339 3.1427 3.3646 3.3731 3.5104 3.5198 3.8193 3.8268 4.3030 4.3082 4.3786 4.3867 4.6903 4.7015 4.8554 4.8653 5.1083 5.1225 5.1985 5.2061 5.3507 5.3677 7.7819 7.8017 10.6827 10.7812 11.1994 11.2339 11.5334 11.5954 12.5438 12.5853 k = 0.5000-0.1197-0.5450 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0261 -13.0190 -11.4876 -11.4803 -11.2550 -11.2384 -11.0015 -10.9849 -10.5936 -10.5793 -10.3440 -10.3339 -3.9516 -3.9456 -0.0651 -0.0288 0.5912 0.6530 0.9434 1.0100 2.2538 2.2614 2.4056 2.4121 2.5083 2.5204 3.1676 3.1783 3.3443 3.3531 3.5146 3.5215 3.8140 3.8222 4.2828 4.2883 4.3737 4.3809 4.6944 4.7056 4.8458 4.8558 5.0967 5.1100 5.1918 5.2004 5.3420 5.3579 7.7570 7.7750 10.7050 10.8003 11.2229 11.2544 11.5494 11.6133 12.5342 12.5799 k = 0.5000-0.1099-0.5593 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0282 -13.0212 -11.4810 -11.4736 -11.2466 -11.2308 -10.9948 -10.9787 -10.6094 -10.5958 -10.3485 -10.3386 -3.9651 -3.9590 -0.0567 -0.0211 0.6385 0.7044 0.9758 1.0468 2.2403 2.2477 2.3920 2.3959 2.4775 2.4924 3.1978 3.2118 3.3169 3.3298 3.5289 3.5344 3.8056 3.8147 4.2623 4.2682 4.3671 4.3736 4.7012 4.7126 4.8369 4.8470 5.0838 5.0960 5.1861 5.1954 5.3335 5.3482 7.7350 7.7511 10.7277 10.8201 11.2447 11.2736 11.5659 11.6313 12.5216 12.5729 k = 0.5000-0.1001-0.5736 ( 12738 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0301 -13.0232 -11.4750 -11.4676 -11.2383 -11.2235 -10.9891 -10.9737 -10.6236 -10.6109 -10.3525 -10.3429 -3.9766 -3.9706 -0.0490 -0.0140 0.6839 0.7544 1.0055 1.0812 2.2275 2.2349 2.3732 2.3778 2.4511 2.4697 3.2117 3.2267 3.3040 3.3192 3.5481 3.5533 3.7943 3.8045 4.2429 4.2492 4.3581 4.3641 4.7101 4.7220 4.8289 4.8393 5.0694 5.0806 5.1813 5.1911 5.3252 5.3387 7.7162 7.7304 10.7507 10.8402 11.2646 11.2913 11.5829 11.6493 12.5073 12.5646 k = 0.5000-0.0902-0.5879 ( 12734 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0318 -13.0250 -11.4696 -11.4621 -11.2305 -11.2168 -10.9847 -10.9700 -10.6358 -10.6242 -10.3560 -10.3466 -3.9863 -3.9803 -0.0417 -0.0074 0.7268 0.8021 1.0321 1.1130 2.2155 2.2228 2.3487 2.3558 2.4328 2.4541 3.1972 3.2046 3.3264 3.3356 3.5688 3.5744 3.7813 3.7928 4.2247 4.2314 4.3469 4.3527 4.7205 4.7331 4.8216 4.8325 5.0539 5.0639 5.1775 5.1875 5.3173 5.3296 7.7008 7.7130 10.7738 10.8606 11.2826 11.3073 11.6003 11.6671 12.4918 12.5554 k = 0.5000-0.0804-0.6022 ( 12736 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0334 -13.0267 -11.4649 -11.4572 -11.2234 -11.2108 -10.9819 -10.9679 -10.6457 -10.6353 -10.3588 -10.3498 -3.9939 -3.9879 -0.0350 -0.0012 0.7661 0.8463 1.0553 1.1416 2.2041 2.2113 2.3214 2.3296 2.4228 2.4449 3.1666 3.1687 3.3620 3.3670 3.5882 3.5944 3.7693 3.7821 4.2073 4.2141 4.3346 4.3402 4.7313 4.7452 4.8151 4.8268 5.0376 5.0465 5.1745 5.1847 5.3100 5.3210 7.6888 7.6991 10.7968 10.8811 11.2985 11.3217 11.6181 11.6846 12.4759 12.5459 k = 0.5000-0.0706-0.6164 ( 12732 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0348 -13.0281 -11.4608 -11.4529 -11.2174 -11.2059 -10.9809 -10.9674 -10.6530 -10.6437 -10.3609 -10.3523 -3.9994 -3.9935 -0.0286 0.0046 0.8011 0.8861 1.0750 1.1665 2.1932 2.2004 2.2941 2.3027 2.4187 2.4405 3.1306 3.1329 3.3977 3.4007 3.6035 3.6103 3.7625 3.7762 4.1897 4.1964 4.3221 4.3276 4.7414 4.7570 4.8094 4.8223 5.0210 5.0288 5.1724 5.1825 5.3033 5.3131 7.6805 7.6889 10.8195 10.9014 11.3124 11.3343 11.6360 11.7015 12.4601 12.5363 k = 0.5000-0.0608-0.6307 ( 12726 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0359 -13.0294 -11.4572 -11.4492 -11.2128 -11.2021 -10.9820 -10.9686 -10.6574 -10.6490 -10.3623 -10.3540 -4.0028 -3.9969 -0.0227 0.0100 0.8308 0.9201 1.0911 1.1872 2.1826 2.1900 2.2690 2.2777 2.4185 2.4396 3.0952 3.0993 3.4284 3.4300 3.6126 3.6204 3.7657 3.7796 4.1710 4.1774 4.3105 4.3162 4.7495 4.7671 4.8047 4.8190 5.0050 5.0116 5.1713 5.1810 5.2975 5.3059 7.6760 7.6825 10.8418 10.9215 11.3242 11.3451 11.6538 11.7178 12.4446 12.5272 k = 0.5000-0.0510-0.6450 ( 12736 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0369 -13.0304 -11.4543 -11.4459 -11.2098 -11.1998 -10.9852 -10.9714 -10.6588 -10.6510 -10.3628 -10.3549 -4.0039 -3.9981 -0.0172 0.0151 0.8545 0.9470 1.1034 1.2032 2.1726 2.1801 2.2476 2.2562 2.4214 2.4414 3.0634 3.0687 3.4488 3.4492 3.6181 3.6273 3.7804 3.7939 4.1505 4.1565 4.3008 4.3066 4.7543 4.7728 4.8022 4.8172 4.9903 4.9957 5.1711 5.1804 5.2926 5.2997 7.6751 7.6800 10.8635 10.9412 11.3340 11.3542 11.6713 11.7332 12.4300 12.5190 k = 0.7636 0.0895-0.2785 ( 12736 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0369 -13.0304 -11.4543 -11.4459 -11.2098 -11.1998 -10.9853 -10.9714 -10.6588 -10.6510 -10.3628 -10.3549 -4.0039 -3.9981 -0.0172 0.0151 0.8545 0.9470 1.1034 1.2032 2.1726 2.1801 2.2476 2.2562 2.4214 2.4414 3.0634 3.0687 3.4487 3.4492 3.6181 3.6274 3.7804 3.7939 4.1505 4.1565 4.3008 4.3066 4.7543 4.7728 4.8022 4.8172 4.9903 4.9957 5.1711 5.1804 5.2926 5.2998 7.6751 7.6800 10.8635 10.9412 11.3340 11.3542 11.6713 11.7332 12.4300 12.5190 k = 0.7556 0.0949-0.2645 ( 12736 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0377 -13.0312 -11.4519 -11.4432 -11.2088 -11.1989 -10.9905 -10.9758 -10.6573 -10.6496 -10.3626 -10.3550 -4.0029 -3.9971 -0.0122 0.0196 0.8714 0.9654 1.1120 1.2136 2.1636 2.1714 2.2309 2.2392 2.4266 2.4453 3.0369 3.0430 3.4534 3.4542 3.6265 3.6367 3.8036 3.8167 4.1283 4.1342 4.2934 4.2994 4.7541 4.7713 4.8034 4.8175 4.9781 4.9825 5.1718 5.1806 5.2889 5.2947 7.6778 7.6816 10.8840 10.9598 11.3414 11.3616 11.6878 11.7472 12.4168 12.5121 k = 0.7476 0.1003-0.2505 ( 12742 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0382 -13.0318 -11.4501 -11.4409 -11.2097 -11.1995 -10.9975 -10.9817 -10.6529 -10.6450 -10.3615 -10.3543 -3.9998 -3.9940 -0.0076 0.0238 0.8818 0.9752 1.1169 1.2181 2.1562 2.1643 2.2184 2.2261 2.4339 2.4511 3.0158 3.0222 3.4430 3.4448 3.6409 3.6510 3.8323 3.8453 4.1045 4.1106 4.2881 4.2944 4.7479 4.7634 4.8069 4.8199 4.9687 4.9727 5.1736 5.1818 5.2862 5.2908 7.6838 7.6875 10.9036 10.9776 11.3468 11.3674 11.7033 11.7599 12.4049 12.5066 k = 0.7396 0.1056-0.2365 ( 12742 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0386 -13.0322 -11.4487 -11.4390 -11.2125 -11.2016 -11.0059 -10.9891 -10.6459 -10.6374 -10.3595 -10.3528 -3.9946 -3.9887 -0.0035 0.0276 0.8854 0.9764 1.1177 1.2163 2.1512 2.1594 2.2095 2.2165 2.4433 2.4588 3.0005 3.0070 3.4220 3.4251 3.6585 3.6680 3.8641 3.8769 4.0802 4.0865 4.2848 4.2914 4.7358 4.7507 4.8107 4.8237 4.9620 4.9665 5.1765 5.1841 5.2848 5.2881 7.6930 7.6977 10.9222 10.9944 11.3502 11.3717 11.7175 11.7713 12.3948 12.5029 k = 0.7316 0.1110-0.2225 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0388 -13.0324 -11.4478 -11.4376 -11.2171 -11.2053 -11.0156 -10.9977 -10.6362 -10.6273 -10.3568 -10.3506 -3.9872 -3.9814 0.0002 0.0310 0.8826 0.9696 1.1136 1.2078 2.1490 2.1571 2.2035 2.2098 2.4550 2.4686 2.9911 2.9973 3.3954 3.3995 3.6756 3.6843 3.8964 3.9084 4.0576 4.0638 4.2832 4.2900 4.7190 4.7343 4.8145 4.8282 4.9578 4.9635 5.1803 5.1873 5.2847 5.2868 7.7056 7.7119 10.9397 11.0101 11.3516 11.3746 11.7302 11.7813 12.3865 12.5010 k = 0.7236 0.1164-0.2085 ( 12740 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0387 -13.0323 -11.4474 -11.4366 -11.2234 -11.2104 -11.0263 -11.0076 -10.6243 -10.6149 -10.3534 -10.3475 -3.9777 -3.9719 0.0034 0.0338 0.8736 0.9556 1.1041 1.1924 2.1498 2.1575 2.2000 2.2056 2.4690 2.4809 2.9870 2.9928 3.3663 3.3714 3.6896 3.6975 3.9254 3.9349 4.0407 4.0463 4.2829 4.2899 4.6992 4.7154 4.8186 4.8327 4.9556 4.9626 5.1850 5.1917 5.2861 5.2873 7.7217 7.7298 10.9560 11.0246 11.3511 11.3760 11.7410 11.7896 12.3803 12.5010 k = 0.7157 0.1217-0.1945 ( 12736 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0385 -13.0320 -11.4475 -11.4360 -11.2309 -11.2169 -11.0378 -11.0184 -10.6103 -10.6006 -10.3492 -10.3437 -3.9663 -3.9604 0.0060 0.0361 0.8591 0.9355 1.0887 1.1705 2.1531 2.1603 2.1987 2.2037 2.4856 2.4958 2.9875 2.9928 3.3371 3.3429 3.6989 3.7061 3.9411 3.9498 4.0353 4.0446 4.2835 4.2907 4.6778 4.6952 4.8228 4.8371 4.9545 4.9628 5.1904 5.1969 5.2887 5.2900 7.7414 7.7514 10.9709 11.0376 11.3487 11.3759 11.7498 11.7964 12.3762 12.5030 k = 0.7077 0.1271-0.1805 ( 12742 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0381 -13.0316 -11.4480 -11.4358 -11.2395 -11.2244 -11.0499 -11.0303 -10.5945 -10.5848 -10.3444 -10.3393 -3.9528 -3.9470 0.0080 0.0378 0.8395 0.9103 1.0675 1.1425 2.1582 2.1648 2.1993 2.2040 2.5049 2.5138 2.9912 2.9960 3.3094 3.3161 3.7023 3.7092 3.9365 3.9506 4.0471 4.0620 4.2844 4.2919 4.6568 4.6755 4.8271 4.8415 4.9540 4.9632 5.1962 5.2029 5.2928 5.2950 7.7644 7.7763 10.9845 11.0491 11.3445 11.3744 11.7564 11.8016 12.3744 12.5067 k = 0.6997 0.1324-0.1665 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0375 -13.0309 -11.4490 -11.4360 -11.2488 -11.2329 -11.0626 -11.0429 -10.5773 -10.5676 -10.3390 -10.3343 -3.9374 -3.9316 0.0092 0.0388 0.8155 0.8807 1.0409 1.1091 2.1647 2.1706 2.2018 2.2063 2.5266 2.5346 2.9962 3.0009 3.2850 3.2925 3.6993 3.7063 3.9243 3.9421 4.0699 4.0871 4.2851 4.2927 4.6380 4.6579 4.8315 4.8457 4.9534 4.9634 5.2025 5.2094 5.2989 5.3019 7.7908 7.8045 10.9967 11.0590 11.3388 11.3714 11.7608 11.8051 12.3748 12.5122 k = 0.6917 0.1378-0.1525 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0368 -13.0301 -11.4504 -11.4367 -11.2585 -11.2420 -11.0759 -11.0563 -10.5590 -10.5493 -10.3331 -10.3288 -3.9202 -3.9143 0.0097 0.0389 0.7877 0.8475 1.0097 1.0713 2.1719 2.1772 2.2063 2.2107 2.5504 2.5579 3.0004 3.0057 3.2653 3.2740 3.6899 3.6973 3.9124 3.9323 4.0940 4.1116 4.2851 4.2925 4.6232 4.6443 4.8358 4.8498 4.9526 4.9631 5.2090 5.2162 5.3072 5.3108 7.8202 7.8358 11.0074 11.0671 11.3314 11.3670 11.7630 11.8071 12.3771 12.5190 k = 0.6837 0.1432-0.1385 ( 12744 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0358 -13.0291 -11.4524 -11.4378 -11.2684 -11.2514 -11.0896 -11.0702 -10.5398 -10.5303 -10.3268 -10.3228 -3.9013 -3.8954 0.0093 0.0382 0.7567 0.8112 0.9749 1.0301 2.1798 2.1844 2.2125 2.2169 2.5757 2.5828 3.0019 3.0085 3.2518 3.2618 3.6752 3.6830 3.9036 3.9245 4.1147 4.1318 4.2839 4.2906 4.6143 4.6364 4.8400 4.8535 4.9513 4.9621 5.2161 5.2233 5.3174 5.3214 7.8526 7.8700 11.0166 11.0734 11.3228 11.3613 11.7632 11.8075 12.3813 12.5270 k = 0.6757 0.1485-0.1245 ( 12744 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0347 -13.0279 -11.4548 -11.4395 -11.2782 -11.2609 -11.1036 -11.0847 -10.5199 -10.5106 -10.3201 -10.3165 -3.8808 -3.8748 0.0080 0.0365 0.7227 0.7720 0.9375 0.9867 2.1882 2.1924 2.2205 2.2248 2.6014 2.6081 2.9999 3.0080 3.2452 3.2566 3.6565 3.6646 3.8984 3.9195 4.1295 4.1454 4.2813 4.2872 4.6126 4.6353 4.8440 4.8570 4.9495 4.9603 5.2237 5.2308 5.3294 5.3335 7.8877 7.9068 11.0243 11.0779 11.3129 11.3543 11.7615 11.8064 12.3869 12.5357 k = 0.6677 0.1539-0.1106 ( 12744 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0335 -13.0267 -11.4578 -11.4416 -11.2876 -11.2703 -11.1181 -11.0997 -10.4996 -10.4906 -10.3132 -10.3099 -3.8587 -3.8527 0.0055 0.0336 0.6862 0.7302 0.8989 0.9422 2.1974 2.2012 2.2299 2.2341 2.6263 2.6325 2.9947 3.0041 3.2447 3.2572 3.6358 3.6440 3.8963 3.9172 4.1367 4.1511 4.2775 4.2835 4.6181 4.6414 4.8475 4.8599 4.9470 4.9578 5.2321 5.2390 5.3428 5.3467 7.9251 7.9459 11.0304 11.0805 11.3021 11.3461 11.7581 11.8037 12.3937 12.5449 k = 0.6597 0.1593-0.0966 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0322 -13.0253 -11.4612 -11.4442 -11.2965 -11.2794 -11.1328 -11.1150 -10.4790 -10.4704 -10.3061 -10.3032 -3.8353 -3.8293 0.0019 0.0295 0.6471 0.6859 0.8602 0.8980 2.2074 2.2109 2.2404 2.2447 2.6489 2.6543 2.9881 2.9985 3.2484 3.2616 3.6146 3.6231 3.8971 3.9173 4.1358 4.1486 4.2732 4.2810 4.6302 4.6539 4.8505 4.8624 4.9438 4.9544 5.2416 5.2480 5.3571 5.3609 7.9648 7.9871 11.0350 11.0813 11.2906 11.3368 11.7532 11.7995 12.4013 12.5542 k = 0.6518 0.1646-0.0826 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0307 -13.0238 -11.4650 -11.4474 -11.3048 -11.2879 -11.1478 -11.1305 -10.4584 -10.4502 -10.2990 -10.2963 -3.8107 -3.8047 -0.0029 0.0240 0.6056 0.6391 0.8225 0.8552 2.2184 2.2216 2.2520 2.2563 2.6675 2.6718 2.9822 2.9934 3.2535 3.2669 3.5945 3.6035 3.9004 3.9197 4.1274 4.1388 4.2698 4.2795 4.6472 4.6713 4.8529 4.8642 4.9400 4.9502 5.2524 5.2584 5.3722 5.3758 8.0062 8.0301 11.0379 11.0803 11.2786 11.3266 11.7468 11.7939 12.4093 12.5632 k = 0.6438 0.1700-0.0686 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0291 -13.0223 -11.4692 -11.4510 -11.3123 -11.2960 -11.1628 -11.1462 -10.4380 -10.4301 -10.2918 -10.2893 -3.7850 -3.7791 -0.0091 0.0171 0.5618 0.5902 0.7869 0.8149 2.2305 2.2334 2.2644 2.2688 2.6806 2.6838 2.9790 2.9909 3.2572 3.2707 3.5767 3.5864 3.9061 3.9245 4.1138 4.1239 4.2676 4.2784 4.6676 4.6919 4.8545 4.8654 4.9354 4.9453 5.2648 5.2703 5.3877 5.3910 8.0492 8.0744 11.0392 11.0778 11.2666 11.3156 11.7392 11.7868 12.4175 12.5716 k = 0.6358 0.1753-0.0546 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0275 -13.0207 -11.4737 -11.4550 -11.3190 -11.3033 -11.1779 -11.1620 -10.4179 -10.4104 -10.2846 -10.2824 -3.7586 -3.7527 -0.0167 0.0087 0.5159 0.5395 0.7538 0.7779 2.2436 2.2463 2.2777 2.2823 2.6871 2.6896 2.9797 2.9924 3.2576 3.2709 3.5619 3.5722 3.9143 3.9316 4.0974 4.1065 4.2659 4.2773 4.6896 4.7142 4.8553 4.8659 4.9301 4.9396 5.2789 5.2839 5.4033 5.4063 8.0934 8.1198 11.0386 11.0740 11.2547 11.3039 11.7303 11.7784 12.4255 12.5791 k = 0.6278 0.1807-0.0406 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0257 -13.0190 -11.4783 -11.4594 -11.3249 -11.3100 -11.1930 -11.1777 -10.3982 -10.3911 -10.2775 -10.2755 -3.7314 -3.7256 -0.0256 -0.0013 0.4682 0.4877 0.7236 0.7447 2.2576 2.2601 2.2917 2.2964 2.6868 2.6895 2.9843 2.9979 3.2535 3.2665 3.5498 3.5608 3.9250 3.9411 4.0809 4.0892 4.2643 4.2756 4.7120 4.7367 4.8551 4.8657 4.9240 4.9331 5.2948 5.2993 5.4188 5.4216 8.1384 8.1658 11.0361 11.0693 11.2432 11.2918 11.7202 11.7685 12.4331 12.5855 k = 0.6198 0.1861-0.0266 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0240 -13.0174 -11.4831 -11.4639 -11.3300 -11.3160 -11.2079 -11.1933 -10.3790 -10.3723 -10.2705 -10.2687 -3.7039 -3.6981 -0.0360 -0.0127 0.4195 0.4353 0.6967 0.7155 2.2724 2.2748 2.3063 2.3112 2.6809 2.6845 2.9921 3.0065 3.2449 3.2577 3.5393 3.5507 3.9384 3.9531 4.0661 4.0742 4.2623 4.2733 4.7337 4.7584 4.8539 4.8649 4.9170 4.9259 5.3125 5.3165 5.4341 5.4366 8.1838 8.2120 11.0314 11.0642 11.2324 11.2795 11.7091 11.7572 12.4402 12.5906 k = 0.6118 0.1914-0.0126 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0222 -13.0158 -11.4878 -11.4686 -11.3344 -11.3213 -11.2225 -11.2086 -10.3607 -10.3543 -10.2637 -10.2621 -3.6761 -3.6705 -0.0477 -0.0257 0.3704 0.3833 0.6730 0.6900 2.2879 2.2903 2.3213 2.3264 2.6709 2.6754 3.0015 3.0168 3.2327 3.2453 3.5287 3.5404 3.9544 3.9675 4.0548 4.0630 4.2599 4.2703 4.7538 4.7785 4.8517 4.8634 4.9093 4.9181 5.3318 5.3355 5.4490 5.4513 8.2293 8.2581 11.0247 11.0590 11.2226 11.2671 11.6969 11.7445 12.4466 12.5943 k = 0.6038 0.1968 0.0014 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0204 -13.0142 -11.4924 -11.4733 -11.3382 -11.3261 -11.2367 -11.2236 -10.3431 -10.3372 -10.2571 -10.2557 -3.6484 -3.6430 -0.0607 -0.0400 0.3217 0.3322 0.6525 0.6680 2.3039 2.3066 2.3366 2.3420 2.6585 2.6638 3.0114 3.0276 3.2180 3.2306 3.5162 3.5280 3.9727 3.9842 4.0482 4.0569 4.2568 4.2668 4.7718 4.7964 4.8485 4.8613 4.9008 4.9098 5.3526 5.3559 5.4635 5.4655 8.2743 8.3035 11.0164 11.0536 11.2137 11.2550 11.6837 11.7305 12.4524 12.5964 k = 0.5958 0.2022 0.0154 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0186 -13.0127 -11.4967 -11.4779 -11.3415 -11.3304 -11.2503 -11.2382 -10.3266 -10.3210 -10.2507 -10.2495 -3.6211 -3.6158 -0.0748 -0.0556 0.2744 0.2828 0.6349 0.6492 2.3202 2.3233 2.3522 2.3578 2.6446 2.6506 3.0208 3.0378 3.2021 3.2148 3.5006 3.5125 3.9928 4.0029 4.0470 4.0563 4.2533 4.2629 4.7871 4.8116 4.8446 4.8589 4.8917 4.9013 5.3745 5.3774 5.4772 5.4790 8.3186 8.3478 11.0070 11.0482 11.2060 11.2432 11.6696 11.7151 12.4576 12.5969 k = 0.5879 0.2075 0.0294 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0168 -13.0112 -11.5007 -11.4823 -11.3444 -11.3342 -11.2633 -11.2522 -10.3111 -10.3059 -10.2446 -10.2435 -3.5943 -3.5893 -0.0900 -0.0723 0.2291 0.2359 0.6202 0.6332 2.3366 2.3403 2.3677 2.3735 2.6303 2.6367 3.0290 3.0468 3.1861 3.1990 3.4814 3.4933 4.0139 4.0232 4.0511 4.0615 4.2495 4.2587 4.7991 4.8228 4.8409 4.8565 4.8823 4.8929 5.3970 5.3997 5.4903 5.4919 8.3616 8.3905 10.9972 11.0424 11.1995 11.2322 11.6547 11.6987 12.4622 12.5958 k = 0.5799 0.2129 0.0434 ( 12776 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0151 -13.0098 -11.5042 -11.4864 -11.3469 -11.3376 -11.2755 -11.2654 -10.2968 -10.2921 -10.2387 -10.2377 -3.5684 -3.5637 -0.1060 -0.0899 0.1867 0.1920 0.6079 0.6198 2.3531 2.3574 2.3829 2.3888 2.6161 2.6229 3.0358 3.0543 3.1708 3.1838 3.4587 3.4706 4.0350 4.0446 4.0602 4.0722 4.2453 4.2544 4.8067 4.8265 4.8404 4.8545 4.8737 4.8854 5.4197 5.4221 5.5026 5.5040 8.4029 8.4312 10.9876 11.0364 11.1942 11.2220 11.6391 11.6812 12.4665 12.5930 k = 0.5719 0.2183 0.0573 ( 12776 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0135 -13.0086 -11.5072 -11.4903 -11.3493 -11.3408 -11.2867 -11.2779 -10.2839 -10.2795 -10.2330 -10.2322 -3.5437 -3.5393 -0.1226 -0.1082 0.1476 0.1517 0.5979 0.6086 2.3693 2.3743 2.3976 2.4036 2.6025 2.6096 3.0415 3.0604 3.1569 3.1699 3.4330 3.4449 4.0553 4.0661 4.0736 4.0879 4.2410 4.2501 4.8093 4.8225 4.8420 4.8514 4.8685 4.8801 5.4420 5.4442 5.5141 5.5153 8.4422 8.4694 10.9787 11.0300 11.1900 11.2128 11.6230 11.6629 12.4705 12.5886 k = 0.5639 0.2236 0.0713 ( 12770 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0119 -13.0074 -11.5097 -11.4937 -11.3516 -11.3438 -11.2968 -11.2893 -10.2723 -10.2684 -10.2276 -10.2269 -3.5206 -3.5165 -0.1395 -0.1268 0.1125 0.1156 0.5899 0.5993 2.3851 2.3908 2.4116 2.4174 2.5898 2.5972 3.0462 3.0654 3.1447 3.1575 3.4053 3.4170 4.0746 4.0865 4.0909 4.1071 4.2366 4.2458 4.8070 4.8160 4.8400 4.8450 4.8689 4.8787 5.4634 5.4653 5.5247 5.5257 8.4789 8.5047 10.9709 11.0232 11.1870 11.2049 11.6068 11.6442 12.4744 12.5827 k = 0.5559 0.2290 0.0853 ( 12776 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0104 -13.0064 -11.5116 -11.4969 -11.3540 -11.3466 -11.3055 -11.2996 -10.2623 -10.2589 -10.2224 -10.2218 -3.4992 -3.4955 -0.1563 -0.1453 0.0816 0.0838 0.5835 0.5918 2.4003 2.4065 2.4245 2.4301 2.5782 2.5858 3.0505 3.0696 3.1346 3.1467 3.3763 3.3877 4.0933 4.1056 4.1105 4.1276 4.2323 4.2417 4.8016 4.8085 4.8340 4.8371 4.8722 4.8805 5.4834 5.4850 5.5344 5.5352 8.5127 8.5366 10.9645 11.0162 11.1850 11.1983 11.5909 11.6254 12.4783 12.5756 k = 0.5479 0.2343 0.0993 ( 12772 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0091 -13.0056 -11.5130 -11.4997 -11.3564 -11.3494 -11.3129 -11.3086 -10.2538 -10.2509 -10.2175 -10.2170 -3.4799 -3.4767 -0.1725 -0.1632 0.0552 0.0566 0.5785 0.5856 2.4145 2.4212 2.4360 2.4412 2.5680 2.5756 3.0551 3.0737 3.1267 3.1375 3.3469 3.3580 4.1115 4.1246 4.1298 4.1476 4.2282 4.2378 4.7946 4.8003 4.8264 4.8289 4.8762 4.8836 5.5013 5.5028 5.5433 5.5439 8.5432 8.5648 10.9598 11.0089 11.1839 11.1931 11.5757 11.6070 12.4824 12.5675 k = 0.5399 0.2397 0.1133 ( 12774 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0079 -13.0049 -11.5138 -11.5022 -11.3588 -11.3523 -11.3188 -11.3160 -10.2469 -10.2445 -10.2129 -10.2126 -3.4630 -3.4602 -0.1876 -0.1800 0.0331 0.0340 0.5748 0.5807 2.4276 2.4346 2.4461 2.4506 2.5592 2.5667 3.0603 3.0780 3.1208 3.1300 3.3181 3.3287 4.1289 4.1429 4.1477 4.1658 4.2244 4.2341 4.7873 4.7917 4.8190 4.8209 4.8802 4.8866 5.5168 5.5180 5.5513 5.5518 8.5701 8.5889 10.9569 11.0015 11.1834 11.1893 11.5619 11.5894 12.4867 12.5588 k = 0.5319 0.2451 0.1273 ( 12774 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0068 -13.0044 -11.5141 -11.5045 -11.3612 -11.3552 -11.3233 -11.3218 -10.2414 -10.2396 -10.2088 -10.2086 -3.4487 -3.4464 -0.2009 -0.1949 0.0154 0.0159 0.5721 0.5768 2.4392 2.4462 2.4546 2.4581 2.5521 2.5592 3.0663 3.0826 3.1171 3.1242 3.2909 3.3007 4.1450 4.1593 4.1643 4.1813 4.2210 4.2304 4.7802 4.7836 4.8123 4.8135 4.8837 4.8890 5.5293 5.5303 5.5587 5.5589 8.5930 8.6086 10.9557 10.9940 11.1834 11.1867 11.5500 11.5732 12.4915 12.5497 k = 0.5240 0.2504 0.1413 ( 12762 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0059 -13.0041 -11.5139 -11.5065 -11.3631 -11.3581 -11.3266 -11.3260 -10.2373 -10.2359 -10.2054 -10.2053 -3.4373 -3.4355 -0.2119 -0.2074 0.0019 0.0021 0.5703 0.5738 2.4489 2.4555 2.4614 2.4637 2.5467 2.5528 3.0729 3.0868 3.1160 3.1206 3.2664 3.2751 4.1592 4.1724 4.1794 4.1932 4.2183 4.2266 4.7741 4.7765 4.8067 4.8073 4.8866 4.8907 5.5387 5.5395 5.5651 5.5652 8.6116 8.6236 10.9564 10.9867 11.1837 11.1851 11.5407 11.5589 12.4967 12.5407 k = 0.5160 0.2558 0.1553 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0051 -13.0039 -11.5134 -11.5083 -11.3644 -11.3608 -11.3289 -11.3287 -10.2344 -10.2335 -10.2028 -10.2028 -3.4289 -3.4277 -0.2199 -0.2170 -0.0077 -0.0076 0.5692 0.5715 2.4565 2.4617 2.4669 2.4678 2.5431 2.5477 3.0793 3.0894 3.1174 3.1195 3.2464 3.2533 4.1708 4.1817 4.1922 4.2016 4.2165 4.2223 4.7694 4.7710 4.8024 4.8026 4.8890 4.8917 5.5451 5.5456 5.5702 5.5702 8.6257 8.6339 10.9586 10.9796 11.1840 11.1844 11.5346 11.5472 12.5025 12.5319 k = 0.5080 0.2612 0.1693 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0046 -13.0039 -11.5125 -11.5099 -11.3648 -11.3629 -11.3302 -11.3302 -10.2326 -10.2322 -10.2013 -10.2013 -3.4237 -3.4231 -0.2246 -0.2231 -0.0133 -0.0133 0.5688 0.5700 2.4617 2.4644 2.4705 2.4706 2.5415 2.5440 3.0844 3.0896 3.1200 3.1204 3.2335 3.2374 4.1794 4.1859 4.2022 4.2072 4.2151 4.2174 4.7665 4.7673 4.7997 4.7997 4.8906 4.8920 5.5487 5.5490 5.5735 5.5735 8.6351 8.6392 10.9623 10.9730 11.1841 11.1842 11.5321 11.5386 12.5089 12.5236 k = 0.5000 0.2665 0.1833 ( 12778 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0042 -13.0042 -11.5113 -11.5113 -11.3643 -11.3643 -11.3307 -11.3307 -10.2319 -10.2319 -10.2007 -10.2007 -3.4217 -3.4217 -0.2257 -0.2257 -0.0152 -0.0152 0.5691 0.5691 2.4643 2.4643 2.4717 2.4717 2.5418 2.5418 3.0878 3.0878 3.1213 3.1213 3.2302 3.2302 4.1848 4.1848 4.2090 4.2090 4.2137 4.2137 4.7658 4.7658 4.7988 4.7988 4.8917 4.8917 5.5500 5.5500 5.5747 5.5747 8.6396 8.6396 10.9672 10.9672 11.1842 11.1842 11.5335 11.5335 12.5159 12.5159 k = 0.5000 0.2665 0.1833 ( 12778 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0042 -13.0042 -11.5113 -11.5113 -11.3643 -11.3643 -11.3307 -11.3307 -10.2319 -10.2319 -10.2007 -10.2007 -3.4217 -3.4217 -0.2257 -0.2257 -0.0152 -0.0152 0.5691 0.5691 2.4643 2.4643 2.4717 2.4717 2.5418 2.5418 3.0878 3.0878 3.1213 3.1213 3.2302 3.2302 4.1848 4.1848 4.2090 4.2090 4.2137 4.2137 4.7658 4.7658 4.7988 4.7988 4.8917 4.8917 5.5500 5.5500 5.5747 5.5747 8.6396 8.6396 10.9672 10.9672 11.1842 11.1842 11.5335 11.5335 12.5159 12.5159 k = 0.4857 0.2589 0.1780 ( 12778 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0051 -13.0051 -11.5099 -11.5098 -11.3654 -11.3626 -11.3316 -11.3290 -10.2345 -10.2302 -10.2033 -10.1991 -3.4234 -3.4234 -0.2323 -0.2169 -0.0219 -0.0062 0.5698 0.5705 2.4444 2.4526 2.4787 2.4853 2.5364 2.5370 3.0707 3.1060 3.1060 3.1380 3.2366 3.2372 4.1701 4.1965 4.1988 4.2078 4.2125 4.2279 4.7622 4.7728 4.7940 4.8068 4.8913 4.8915 5.5468 5.5531 5.5715 5.5778 8.6389 8.6389 10.9475 10.9890 11.1669 11.2029 11.5312 11.5327 12.5133 12.5201 k = 0.4714 0.2513 0.1728 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0080 -13.0080 -11.5057 -11.5053 -11.3657 -11.3600 -11.3318 -11.3267 -10.2380 -10.2295 -10.2067 -10.1985 -3.4283 -3.4283 -0.2366 -0.2059 -0.0262 0.0052 0.5725 0.5739 2.4200 2.4287 2.4866 2.4926 2.5212 2.5228 3.0553 3.0927 3.1244 3.1553 3.2558 3.2570 4.1545 4.1835 4.2022 4.2074 4.2212 4.2413 4.7619 4.7833 4.7925 4.8180 4.8905 4.8907 5.5434 5.5561 5.5681 5.5807 8.6367 8.6368 10.9301 11.0129 11.1512 11.2229 11.5261 11.5291 12.5121 12.5258 k = 0.4571 0.2437 0.1676 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0127 -13.0126 -11.4986 -11.4981 -11.3652 -11.3567 -11.3313 -11.3237 -10.2425 -10.2297 -10.2111 -10.1989 -3.4365 -3.4365 -0.2387 -0.1927 -0.0280 0.0189 0.5772 0.5793 2.3920 2.4010 2.4855 2.4933 2.4978 2.5027 3.0416 3.0816 3.1421 3.1723 3.2863 3.2879 4.1391 4.1684 4.2043 4.2074 4.2330 4.2541 4.7646 4.7939 4.7971 4.8323 4.8891 4.8895 5.5400 5.5589 5.5646 5.5834 8.6331 8.6333 10.9150 11.0386 11.1373 11.2441 11.5183 11.5228 12.5120 12.5329 k = 0.4429 0.2361 0.1623 ( 12769 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0191 -13.0191 -11.4887 -11.4881 -11.3640 -11.3527 -11.3302 -11.3200 -10.2478 -10.2309 -10.2164 -10.2002 -3.4479 -3.4478 -0.2384 -0.1774 -0.0275 0.0349 0.5838 0.5866 2.3612 2.3702 2.4653 2.4681 2.4873 2.4887 3.0297 3.0722 3.1583 3.1880 3.3259 3.3278 4.1248 4.1544 4.2056 4.2077 4.2454 4.2666 4.7699 4.7979 4.8137 4.8492 4.8871 4.8879 5.5364 5.5610 5.5616 5.5860 8.6281 8.6283 10.9024 11.0661 11.1251 11.2662 11.5081 11.5140 12.5126 12.5413 k = 0.4286 0.2285 0.1571 ( 12796 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.0272 -13.0272 -11.4764 -11.4755 -11.3619 -11.3479 -11.3283 -11.3156 -10.2540 -10.2331 -10.2225 -10.2024 -3.4623 -3.4622 -0.2359 -0.1601 -0.0245 0.0530 0.5922 0.5957 2.3282 2.3372 2.4328 2.4340 2.4750 2.4762 3.0188 3.0639 3.1720 3.2015 3.3728 3.3748 4.1127 4.1422 4.2069 4.2085 4.2584 4.2794 4.7773 4.8042 4.8324 4.8683 4.8845 4.8860 5.5327 5.5572 5.5641 5.5883 8.6215 8.6218 10.8923 11.0950 11.1148 11.2890 11.4958 11.5030 12.5136 12.5507 k = 0.4143 0.2208 0.1519 ( 12796 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.0368 -13.0368 -11.4617 -11.4606 -11.3591 -11.3423 -11.3257 -11.3106 -10.2611 -10.2362 -10.2295 -10.2056 -3.4796 -3.4795 -0.2311 -0.1408 -0.0191 0.0734 0.6024 0.6066 2.2937 2.3025 2.3964 2.3971 2.4571 2.4589 3.0078 3.0555 3.1824 3.2120 3.4250 3.4272 4.1036 4.1329 4.2087 4.2099 4.2722 4.2931 4.7866 4.8124 4.8520 4.8814 4.8846 4.8892 5.5290 5.5533 5.5665 5.5905 8.6134 8.6137 10.8847 11.1064 11.1252 11.3123 11.4820 11.4904 12.5146 12.5606 k = 0.4000 0.2132 0.1466 ( 12790 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.0478 -13.0477 -11.4448 -11.4436 -11.3554 -11.3360 -11.3225 -11.3050 -10.2689 -10.2402 -10.2373 -10.2097 -3.4996 -3.4995 -0.2241 -0.1196 -0.0113 0.0958 0.6142 0.6191 2.2581 2.2666 2.3580 2.3584 2.4345 2.4369 2.9957 3.0457 3.1889 3.2187 3.4811 3.4835 4.0984 4.1273 4.2113 4.2123 4.2873 4.3082 4.7972 4.8221 4.8669 4.8777 4.8888 4.9113 5.5251 5.5494 5.5687 5.5926 8.6036 8.6040 10.8797 11.0999 11.1565 11.3359 11.4669 11.4764 12.5153 12.5709 k = 0.3857 0.2056 0.1414 ( 12784 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.0599 -13.0599 -11.4262 -11.4248 -11.3507 -11.3287 -11.3186 -11.2987 -10.2775 -10.2459 -10.2451 -10.2147 -3.5222 -3.5221 -0.2148 -0.0965 -0.0011 0.1202 0.6275 0.6331 2.2220 2.2300 2.3186 2.3190 2.4081 2.4111 2.9812 3.0333 3.1911 3.2212 3.5398 3.5424 4.0978 4.1263 4.2150 4.2158 4.3043 4.3251 4.8087 4.8330 4.8686 4.8735 4.9065 4.9341 5.5213 5.5454 5.5708 5.5944 8.5922 8.5926 10.8772 11.0954 11.1886 11.3594 11.4510 11.4615 12.5157 12.5811 k = 0.3714 0.1980 0.1361 ( 12778 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.0731 -13.0730 -11.4060 -11.4048 -11.3448 -11.3205 -11.3140 -11.2919 -10.2868 -10.2552 -10.2509 -10.2207 -3.5470 -3.5470 -0.2033 -0.0718 0.0114 0.1465 0.6422 0.6484 2.1856 2.1932 2.2790 2.2793 2.3787 2.3821 2.9635 3.0173 3.1885 3.2191 3.6001 3.6027 4.1024 4.1302 4.2204 4.2211 4.3234 4.3444 4.8208 4.8448 4.8649 4.8689 4.9292 4.9573 5.5174 5.5413 5.5728 5.5961 8.5791 8.5796 10.8772 11.0927 11.2211 11.3826 11.4349 11.4462 12.5155 12.5911 k = 0.3571 0.1904 0.1309 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0871 -13.0870 -11.3849 -11.3842 -11.3371 -11.3112 -11.3088 -11.2845 -10.2968 -10.2652 -10.2576 -10.2274 -3.5740 -3.5739 -0.1897 -0.0455 0.0263 0.1747 0.6580 0.6649 2.1494 2.1563 2.2398 2.2400 2.3471 2.3509 2.9419 2.9971 3.1810 3.2121 3.6606 3.6633 4.1122 4.1395 4.2280 4.2287 4.3449 4.3660 4.8326 4.8572 4.8597 4.8644 4.9530 4.9803 5.5135 5.5373 5.5746 5.5975 8.5642 8.5647 10.8797 11.0920 11.2538 11.4053 11.4189 11.4308 12.5150 12.6007 k = 0.3429 0.1828 0.1257 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1018 -13.1017 -11.3648 -11.3634 -11.3262 -11.3030 -11.3002 -11.2765 -10.3074 -10.2758 -10.2651 -10.2350 -3.6028 -3.6027 -0.1740 -0.0176 0.0434 0.2045 0.6748 0.6825 2.1134 2.1198 2.2011 2.2014 2.3140 2.3180 2.9162 2.9723 3.1688 3.2003 3.7202 3.7230 4.1272 4.1540 4.2387 4.2394 4.3688 4.3901 4.8418 4.8535 4.8621 4.8701 4.9766 5.0030 5.5097 5.5333 5.5762 5.5988 8.5475 8.5480 10.8847 11.0930 11.2861 11.4035 11.4157 11.4271 12.5140 12.6099 k = 0.3286 0.1751 0.1204 ( 12742 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1170 -13.1169 -11.3487 -11.3424 -11.3103 -11.2966 -11.2871 -11.2681 -10.3186 -10.2869 -10.2733 -10.2434 -3.6332 -3.6331 -0.1562 0.0115 0.0628 0.2360 0.6925 0.7009 2.0779 2.0837 2.1634 2.1637 2.2799 2.2840 2.8865 2.9429 3.1519 3.1838 3.7775 3.7803 4.1471 4.1736 4.2534 4.2541 4.3949 4.4164 4.8427 4.8465 4.8677 4.8832 4.9998 5.0250 5.5060 5.5293 5.5777 5.5999 8.5289 8.5295 10.8919 11.0958 11.3169 11.3899 11.4011 11.4477 12.5129 12.6186 k = 0.3143 0.1675 0.1152 ( 12760 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.1325 -13.1324 -11.3364 -11.3231 -11.2896 -11.2891 -11.2709 -11.2592 -10.3302 -10.2986 -10.2824 -10.2526 -3.6649 -3.6648 -0.1364 0.0419 0.0844 0.2689 0.7108 0.7200 2.0432 2.0483 2.1268 2.1271 2.2453 2.2493 2.8529 2.9092 3.1306 3.1627 3.8311 3.8339 4.1716 4.1978 4.2733 4.2740 4.4231 4.4449 4.8375 4.8390 4.8790 4.8965 5.0220 5.0460 5.5023 5.5254 5.5790 5.6008 8.5085 8.5091 10.9014 11.1003 11.3421 11.3819 11.3873 11.4670 12.5117 12.6269 k = 0.3000 0.1599 0.1100 ( 12766 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.1482 -13.1482 -11.3261 -11.3062 -11.2820 -11.2646 -11.2512 -11.2499 -10.3423 -10.3107 -10.2921 -10.2624 -3.6977 -3.6976 -0.1146 0.0733 0.1080 0.3032 0.7297 0.7396 2.0094 2.0138 2.0914 2.0918 2.2104 2.2144 2.8161 2.8717 3.1052 3.1375 3.8796 3.8822 4.2000 4.2260 4.2994 4.2999 4.4529 4.4751 4.8304 4.8311 4.8915 4.9097 5.0431 5.0659 5.4989 5.5217 5.5802 5.6015 8.4861 8.4868 10.9130 11.1063 11.3477 11.3745 11.3936 11.4847 12.5108 12.6347 k = 0.2857 0.1523 0.1047 ( 12754 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.1640 -13.1639 -11.3166 -11.2915 -11.2740 -11.2402 -11.2383 -11.2284 -10.3548 -10.3232 -10.3025 -10.2729 -3.7312 -3.7312 -0.0911 0.1056 0.1337 0.3386 0.7490 0.7597 1.9766 1.9803 2.0574 2.0579 2.1757 2.1794 2.7765 2.8310 3.0761 3.1085 3.9217 3.9241 4.2318 4.2577 4.3323 4.3327 4.4840 4.5066 4.8229 4.8230 4.9043 4.9228 5.0629 5.0845 5.4957 5.5182 5.5812 5.6020 8.4620 8.4626 10.9266 11.1138 11.3396 11.3630 11.4188 11.5005 12.5103 12.6421 k = 0.2714 0.1447 0.0995 ( 12763 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.1797 -13.1797 -11.3073 -11.2783 -11.2654 -11.2303 -11.2112 -11.2036 -10.3675 -10.3360 -10.3134 -10.2840 -3.7653 -3.7652 -0.0658 0.1385 0.1613 0.3750 0.7684 0.7799 1.9449 1.9480 2.0249 2.0254 2.1412 2.1447 2.7347 2.7875 3.0437 3.0760 3.9572 3.9593 4.2664 4.2922 4.3719 4.3719 4.5160 4.5391 4.8151 4.8154 4.9169 4.9357 5.0812 5.1017 5.4927 5.5149 5.5819 5.6022 8.4360 8.4367 10.9420 11.1225 11.3299 11.3528 11.4451 11.5143 12.5105 12.6492 k = 0.2571 0.1371 0.0943 ( 12763 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.1952 -13.1952 -11.2978 -11.2660 -11.2565 -11.2200 -11.1837 -11.1776 -10.3804 -10.3490 -10.3249 -10.2956 -3.7996 -3.7995 -0.0389 0.1718 0.1908 0.4122 0.7879 0.8002 1.9145 1.9169 1.9939 1.9944 2.1073 2.1104 2.6914 2.7421 3.0085 3.0405 3.9863 3.9881 4.3033 4.3289 4.4163 4.4168 4.5486 4.5720 4.8081 4.8088 4.9293 4.9484 5.0979 5.1174 5.4901 5.5119 5.5825 5.6023 8.4083 8.4090 10.9590 11.1326 11.3207 11.3441 11.4700 11.5260 12.5116 12.6560 k = 0.2429 0.1295 0.0890 ( 12745 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.2104 -13.2104 -11.2881 -11.2542 -11.2471 -11.2096 -11.1561 -11.1511 -10.3934 -10.3621 -10.3369 -10.3077 -3.8338 -3.8338 -0.0105 0.2053 0.2220 0.4500 0.8072 0.8205 1.8854 1.8871 1.9644 1.9650 2.0740 2.0766 2.6473 2.6953 2.9707 3.0023 4.0101 4.0117 4.3418 4.3673 4.4637 4.4648 4.5812 4.6051 4.8029 4.8041 4.9413 4.9608 5.1129 5.1315 5.4879 5.5093 5.5829 5.6021 8.3790 8.3798 10.9776 11.1437 11.3127 11.3369 11.4928 11.5353 12.5138 12.6625 k = 0.2286 0.1218 0.0838 ( 12736 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.2252 -13.2252 -11.2782 -11.2427 -11.2374 -11.1991 -11.1288 -11.1246 -10.4065 -10.3753 -10.3493 -10.3202 -3.8678 -3.8677 0.0193 0.2388 0.2549 0.4880 0.8264 0.8405 1.8577 1.8587 1.9365 1.9372 2.0415 2.0434 2.6029 2.6479 2.9309 2.9619 4.0298 4.0311 4.3814 4.4067 4.5106 4.5123 4.6136 4.6379 4.8017 4.8034 4.9529 4.9728 5.1261 5.1438 5.4861 5.5071 5.5830 5.6017 8.3483 8.3490 10.9975 11.1557 11.3060 11.3312 11.5128 11.5424 12.5174 12.6687 k = 0.2143 0.1142 0.0785 ( 12718 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2395 -13.2395 -11.2681 -11.2315 -11.2274 -11.1885 -11.1021 -11.0983 -10.4194 -10.3884 -10.3620 -10.3331 -3.9012 -3.9011 0.0504 0.2719 0.2893 0.5261 0.8452 0.8602 1.8315 1.8318 1.9103 1.9110 2.0097 2.0109 2.5590 2.6004 2.8894 2.9195 4.0466 4.0478 4.4216 4.4468 4.5526 4.5547 4.6454 4.6700 4.8074 4.8096 4.9642 4.9844 5.1374 5.1544 5.4849 5.5054 5.5828 5.6010 8.3163 8.3171 11.0185 11.1687 11.3006 11.3270 11.5298 11.5471 12.5223 12.6746 k = 0.2000 0.1066 0.0733 ( 12724 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.2533 -13.2532 -11.2578 -11.2205 -11.2172 -11.1780 -11.0760 -11.0727 -10.4322 -10.4013 -10.3749 -10.3461 -3.9338 -3.9337 0.0825 0.3043 0.3250 0.5640 0.8635 0.8794 1.8065 1.8069 1.8857 1.8865 1.9788 1.9792 2.5161 2.5535 2.8465 2.8756 4.0615 4.0625 4.4618 4.4870 4.5847 4.5867 4.6762 4.7011 4.8244 4.8267 4.9751 4.9957 5.1468 5.1633 5.4842 5.5043 5.5823 5.6000 8.2833 8.2841 11.0404 11.1824 11.2965 11.3243 11.5436 11.5494 12.5287 12.6801 k = 0.1857 0.0990 0.0681 ( 12727 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.2663 -13.2663 -11.2474 -11.2098 -11.2068 -11.1676 -11.0507 -11.0478 -10.4446 -10.4139 -10.3880 -10.3593 -3.9653 -3.9652 0.1154 0.3358 0.3618 0.6012 0.8812 0.8981 1.7829 1.7838 1.8627 1.8637 1.9483 1.9487 2.4749 2.5079 2.8027 2.8306 4.0751 4.0759 4.5016 4.5271 4.6037 4.6050 4.7056 4.7308 4.8548 4.8568 4.9857 5.0066 5.1544 5.1703 5.4842 5.5038 5.5816 5.5988 8.2496 8.2504 11.0631 11.1967 11.2935 11.3230 11.5495 11.5539 12.5365 12.6852 k = 0.1714 0.0914 0.0628 ( 12727 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.2787 -13.2786 -11.2369 -11.1994 -11.1963 -11.1576 -11.0266 -11.0240 -10.4566 -10.4261 -10.4011 -10.3726 -3.9955 -3.9954 0.1491 0.3659 0.3997 0.6374 0.8983 0.9160 1.7609 1.7625 1.8414 1.8425 1.9182 1.9194 2.4361 2.4644 2.7582 2.7846 4.0880 4.0887 4.5400 4.5666 4.6108 4.6113 4.7333 4.7589 4.8968 4.8978 4.9961 5.0171 5.1600 5.1755 5.4848 5.5040 5.5805 5.5972 8.2155 8.2162 11.0862 11.2116 11.2916 11.3231 11.5475 11.5609 12.5457 12.6898 k = 0.1571 0.0838 0.0576 ( 12739 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.2902 -13.2902 -11.2264 -11.1895 -11.1858 -11.1479 -11.0037 -11.0014 -10.4680 -10.4377 -10.4142 -10.3858 -4.0242 -4.0241 0.1831 0.3943 0.4383 0.6722 0.9146 0.9331 1.7407 1.7429 1.8217 1.8230 1.8890 1.8909 2.4001 2.4235 2.7134 2.7382 4.1005 4.1010 4.5741 4.6051 4.6079 4.6138 4.7591 4.7850 4.9450 4.9456 5.0069 5.0272 5.1637 5.1790 5.4862 5.5049 5.5791 5.5954 8.1814 8.1821 11.1096 11.2270 11.2907 11.3246 11.5434 11.5644 12.5561 12.6939 k = 0.1429 0.0762 0.0524 ( 12724 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3010 -13.3009 -11.2161 -11.1802 -11.1754 -11.1386 -10.9823 -10.9801 -10.4787 -10.4487 -10.4271 -10.3988 -4.0512 -4.0511 0.2174 0.4205 0.4774 0.7050 0.9300 0.9491 1.7223 1.7251 1.8037 1.8051 1.8607 1.8630 2.3677 2.3861 2.6688 2.6917 4.1127 4.1131 4.5886 4.5997 4.6293 4.6425 4.7827 4.8090 4.9912 4.9973 5.0213 5.0370 5.1656 5.1807 5.4882 5.5065 5.5772 5.5931 8.1476 8.1483 11.1329 11.2427 11.2905 11.3274 11.5374 11.5647 12.5675 12.6972 k = 0.1286 0.0685 0.0471 ( 12718 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3108 -13.3108 -11.2059 -11.1715 -11.1651 -11.1301 -10.9624 -10.9604 -10.4886 -10.4588 -10.4397 -10.4116 -4.0762 -4.0762 0.2515 0.4442 0.5168 0.7354 0.9446 0.9641 1.7057 1.7091 1.7873 1.7890 1.8334 1.8359 2.3393 2.3528 2.6246 2.6454 4.1248 4.1251 4.5826 4.5885 4.6606 4.6784 4.8041 4.8305 5.0167 5.0465 5.0490 5.0563 5.1659 5.1807 5.4910 5.5088 5.5750 5.5906 8.1148 8.1154 11.1560 11.2588 11.2908 11.3315 11.5297 11.5618 12.5795 12.6998 k = 0.1143 0.0609 0.0419 ( 12730 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3197 -13.3197 -11.1960 -11.1637 -11.1552 -11.1222 -10.9441 -10.9424 -10.4974 -10.4679 -10.4519 -10.4239 -4.0991 -4.0991 0.2852 0.4650 0.5560 0.7626 0.9582 0.9777 1.6912 1.6951 1.7723 1.7745 1.8075 1.8096 2.3153 2.3244 2.5812 2.5998 4.1368 4.1369 4.5714 4.5757 4.6936 4.7125 4.8230 4.8495 5.0282 5.0556 5.0984 5.1034 5.1648 5.1791 5.4944 5.5118 5.5724 5.5876 8.0833 8.0839 11.1783 11.2752 11.2916 11.3369 11.5204 11.5560 12.5920 12.7016 k = 0.1000 0.0533 0.0367 ( 12748 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3276 -13.3276 -11.1866 -11.1567 -11.1456 -11.1153 -10.9278 -10.9262 -10.5052 -10.4759 -10.4636 -10.4358 -4.1198 -4.1197 0.3181 0.4826 0.5947 0.7863 0.9707 0.9899 1.6787 1.6831 1.7586 1.7618 1.7834 1.7842 2.2963 2.3013 2.5390 2.5551 4.1485 4.1485 4.5588 4.5621 4.7252 4.7445 4.8392 4.8657 5.0376 5.0645 5.1411 5.1494 5.1656 5.1759 5.4985 5.5154 5.5693 5.5843 8.0537 8.0542 11.1996 11.2917 11.2925 11.3438 11.5097 11.5476 12.6046 12.7024 k = 0.0857 0.0457 0.0314 ( 12722 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3346 -13.3346 -11.1776 -11.1508 -11.1366 -11.1094 -10.9133 -10.9120 -10.5116 -10.4826 -10.4746 -10.4469 -4.1380 -4.1380 0.3498 0.4964 0.6325 0.8056 0.9822 1.0004 1.6683 1.6732 1.7452 1.7508 1.7600 1.7622 2.2825 2.2841 2.4984 2.5119 4.1597 4.1597 4.5458 4.5485 4.7547 4.7742 4.8527 4.8790 5.0466 5.0732 5.1516 5.1714 5.1917 5.1929 5.5032 5.5196 5.5659 5.5807 8.0265 8.0270 11.2192 11.2935 11.3084 11.3523 11.4978 11.5369 12.6170 12.7022 k = 0.0714 0.0381 0.0262 ( 12716 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3405 -13.3405 -11.1693 -11.1461 -11.1282 -11.1047 -10.9009 -10.8998 -10.5167 -10.4880 -10.4849 -10.4572 -4.1537 -4.1536 0.3799 0.5064 0.6688 0.8200 0.9925 1.0092 1.6603 1.6655 1.7301 1.7372 1.7414 1.7464 2.2731 2.2741 2.4598 2.4707 4.1703 4.1703 4.5333 4.5355 4.7816 4.8013 4.8632 4.8891 5.0554 5.0819 5.1467 5.1657 5.2292 5.2292 5.5083 5.5243 5.5620 5.5766 8.0024 8.0028 11.2368 11.2942 11.3252 11.3628 11.4848 11.5241 12.6291 12.7009 k = 0.0571 0.0305 0.0209 ( 12728 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3454 -13.3454 -11.1618 -11.1426 -11.1206 -11.1011 -10.8906 -10.8897 -10.5204 -10.4941 -10.4919 -10.4665 -4.1666 -4.1666 0.4080 0.5121 0.7031 0.8291 1.0016 1.0160 1.6547 1.6601 1.7133 1.7164 1.7338 1.7362 2.2684 2.2711 2.4236 2.4318 4.1798 4.1798 4.5220 4.5237 4.8055 4.8255 4.8706 4.8961 5.0643 5.0905 5.1396 5.1589 5.2608 5.2609 5.5138 5.5294 5.5577 5.5722 7.9818 7.9821 11.2519 11.2944 11.3421 11.3752 11.4709 11.5096 12.6406 12.6985 k = 0.0429 0.0228 0.0157 ( 12719 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3492 -13.3492 -11.1552 -11.1404 -11.1140 -11.0989 -10.8825 -10.8818 -10.5224 -10.5023 -10.4942 -10.4748 -4.1768 -4.1768 0.4337 0.5135 0.7347 0.8324 1.0093 1.0209 1.6517 1.6572 1.6974 1.6980 1.7279 1.7292 2.2701 2.2735 2.3903 2.3958 4.1879 4.1879 4.5123 4.5136 4.8262 4.8466 4.8749 4.8997 5.0734 5.0991 5.1312 5.1513 5.2862 5.2864 5.5195 5.5348 5.5530 5.5674 7.9652 7.9654 11.2643 11.2941 11.3590 11.3896 11.4562 11.4936 12.6513 12.6951 k = 0.0286 0.0152 0.0105 ( 12743 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3519 -13.3519 -11.1496 -11.1395 -11.1083 -11.0981 -10.8766 -10.8762 -10.5229 -10.5093 -10.4949 -10.4817 -4.1841 -4.1841 0.4564 0.5105 0.7630 0.8298 1.0156 1.0237 1.6516 1.6569 1.6824 1.6838 1.7237 1.7244 2.2778 2.2812 2.3603 2.3632 4.1941 4.1942 4.5050 4.5058 4.8435 4.8644 4.8758 4.8999 5.0829 5.1078 5.1220 5.1430 5.3047 5.3049 5.5254 5.5404 5.5480 5.5624 7.9530 7.9532 11.2741 11.2929 11.3758 11.4056 11.4409 11.4766 12.6612 12.6905 k = 0.0143 0.0076 0.0052 ( 12725 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3535 -13.3535 -11.1452 -11.1401 -11.1038 -11.0987 -10.8730 -10.8728 -10.5218 -10.5149 -10.4940 -10.4873 -4.1886 -4.1885 0.4758 0.5031 0.7873 0.8212 1.0203 1.0245 1.6544 1.6593 1.6698 1.6728 1.7212 1.7215 2.2915 2.2941 2.3340 2.3347 4.1980 4.1981 4.5004 4.5008 4.8571 4.8732 4.8787 4.8965 5.0926 5.1124 5.1166 5.1344 5.3161 5.3162 5.5312 5.5426 5.5460 5.5571 7.9456 7.9457 11.2815 11.2905 11.3924 11.4229 11.4251 11.4589 12.6701 12.6848 k = 0.0000 0.0000 0.0000 ( 12713 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3541 -13.3541 -11.1420 -11.1420 -11.1006 -11.1006 -10.8718 -10.8718 -10.5191 -10.5191 -10.4914 -10.4914 -4.1900 -4.1900 0.4915 0.4915 0.8069 0.8069 1.0233 1.0233 1.6605 1.6605 1.6646 1.6646 1.7205 1.7205 2.3106 2.3106 2.3118 2.3118 4.1994 4.1994 4.4990 4.4990 4.8670 4.8670 4.8894 4.8894 5.1025 5.1025 5.1255 5.1255 5.3199 5.3199 5.5370 5.5370 5.5516 5.5516 7.9431 7.9431 11.2868 11.2868 11.4089 11.4089 11.4408 11.4408 12.6780 12.6780 k = 0.0000 0.0000 0.0000 ( 12713 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3541 -13.3541 -11.1420 -11.1420 -11.1006 -11.1006 -10.8718 -10.8718 -10.5191 -10.5191 -10.4914 -10.4914 -4.1900 -4.1900 0.4915 0.4915 0.8069 0.8069 1.0233 1.0233 1.6605 1.6605 1.6646 1.6646 1.7205 1.7205 2.3106 2.3106 2.3118 2.3118 4.1994 4.1994 4.4990 4.4990 4.8670 4.8670 4.8894 4.8894 5.1025 5.1025 5.1255 5.1255 5.3199 5.3199 5.5370 5.5370 5.5516 5.5516 7.9431 7.9431 11.2868 11.2868 11.4089 11.4089 11.4408 11.4408 12.6780 12.6780 k = 0.0082-0.0055-0.0143 ( 12719 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3536 -13.3535 -11.1460 -11.1400 -11.1018 -11.1016 -10.8748 -10.8666 -10.5202 -10.5178 -10.4913 -10.4913 -4.1891 -4.1890 0.4836 0.4958 0.8046 0.8047 1.0119 1.0267 1.6622 1.6624 1.6660 1.6678 1.7216 1.7220 2.3121 2.3125 2.3153 2.3174 4.1986 4.1996 4.4985 4.4993 4.8651 4.8666 4.8882 4.8882 5.1011 5.1025 5.1248 5.1248 5.3191 5.3204 5.5359 5.5368 5.5509 5.5509 7.9443 7.9452 11.2750 11.2948 11.4077 11.4082 11.4342 11.4488 12.6725 12.6820 k = 0.0164-0.0110-0.0287 ( 12725 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3521 -13.3519 -11.1524 -11.1402 -11.1054 -11.1043 -10.8756 -10.8598 -10.5209 -10.5160 -10.4911 -10.4908 -4.1862 -4.1861 0.4724 0.4967 0.7974 0.7986 0.9934 1.0223 1.6657 1.6663 1.6735 1.6768 1.7253 1.7264 2.3163 2.3173 2.3286 2.3325 4.1971 4.1992 4.4978 4.4993 4.8606 4.8638 4.8846 4.8849 5.0984 5.1012 5.1227 5.1229 5.3180 5.3205 5.5331 5.5350 5.5491 5.5493 7.9486 7.9503 11.2597 11.2983 11.4036 11.4070 11.4298 11.4574 12.6654 12.6847 k = 0.0245-0.0165-0.0430 ( 12721 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3496 -13.3493 -11.1612 -11.1425 -11.1111 -11.1080 -10.8744 -10.8518 -10.5212 -10.5138 -10.4907 -10.4897 -4.1814 -4.1813 0.4579 0.4939 0.7848 0.7887 0.9694 1.0113 1.6707 1.6716 1.6861 1.6905 1.7316 1.7347 2.3232 2.3248 2.3511 2.3567 4.1949 4.1982 4.4967 4.4991 4.8535 4.8583 4.8787 4.8796 5.0943 5.0982 5.1195 5.1202 5.3166 5.3201 5.5280 5.5310 5.5470 5.5476 7.9559 7.9585 11.2412 11.2967 11.3967 11.4065 11.4269 11.4662 12.6566 12.6861 k = 0.0327-0.0220-0.0573 ( 12715 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7226 -13.3460 -13.3457 -11.1724 -11.1477 -11.1179 -11.1121 -10.8718 -10.8434 -10.5212 -10.5111 -10.4903 -10.4880 -4.1748 -4.1746 0.4402 0.4873 0.7663 0.7753 0.9422 0.9955 1.6773 1.6786 1.7006 1.7070 1.7413 1.7486 2.3330 2.3350 2.3821 2.3892 4.1919 4.1963 4.4953 4.4984 4.8434 4.8498 4.8709 4.8727 5.0885 5.0933 5.1156 5.1172 5.3149 5.3194 5.5204 5.5242 5.5453 5.5461 7.9660 7.9695 11.2198 11.2897 11.3878 11.4075 11.4248 11.4747 12.6457 12.6861 k = 0.0409-0.0275-0.0717 ( 12715 PWs) bands (ev): -37.3185 -37.3185 -36.7226 -36.7225 -13.3415 -13.3410 -11.1857 -11.1563 -11.1246 -11.1164 -10.8682 -10.8351 -10.5210 -10.5079 -10.4898 -10.4854 -4.1663 -4.1661 0.4194 0.4769 0.7417 0.7583 0.9141 0.9771 1.6857 1.6872 1.7143 1.7233 1.7566 1.7693 2.3452 2.3477 2.4210 2.4291 4.1881 4.1935 4.4932 4.4971 4.8304 4.8382 4.8613 4.8642 5.0810 5.0865 5.1112 5.1143 5.3130 5.3181 5.5105 5.5149 5.5441 5.5450 7.9787 7.9831 11.1955 11.2779 11.3771 11.4089 11.4237 11.4831 12.6328 12.6848 k = 0.0491-0.0330-0.0860 ( 12717 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3360 -13.3354 -11.2006 -11.1682 -11.1308 -11.1209 -10.8645 -10.8275 -10.5205 -10.5040 -10.4891 -10.4818 -4.1562 -4.1560 0.3956 0.4626 0.7115 0.7376 0.8870 0.9578 1.6957 1.6975 1.7265 1.7371 1.7793 1.7962 2.3597 2.3628 2.4667 2.4757 4.1831 4.1896 4.4903 4.4949 4.8146 4.8237 4.8498 4.8540 5.0720 5.0781 5.1068 5.1115 5.3107 5.3163 5.4989 5.5038 5.5430 5.5439 7.9937 7.9988 11.1687 11.2620 11.3648 11.4081 11.4255 11.4911 12.6177 12.6819 k = 0.0573-0.0385-0.1003 ( 12715 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3295 -13.3289 -11.2169 -11.1828 -11.1366 -11.1256 -10.8610 -10.8210 -10.5200 -10.4998 -10.4878 -10.4771 -4.1444 -4.1442 0.3690 0.4443 0.6766 0.7130 0.8624 0.9389 1.7071 1.7091 1.7381 1.7491 1.8084 1.8278 2.3764 2.3798 2.5183 2.5278 4.1769 4.1844 4.4863 4.4915 4.7962 4.8065 4.8364 4.8420 5.0618 5.0684 5.1026 5.1088 5.3082 5.3141 5.4861 5.4912 5.5418 5.5427 8.0105 8.0165 11.1395 11.2427 11.3509 11.4039 11.4306 11.4990 12.6004 12.6776 k = 0.0655-0.0440-0.1147 ( 12721 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3221 -13.3214 -11.2341 -11.1991 -11.1423 -11.1305 -10.8583 -10.8159 -10.5194 -10.4960 -10.4848 -10.4713 -4.1312 -4.1308 0.3398 0.4219 0.6386 0.6848 0.8410 0.9211 1.7198 1.7219 1.7501 1.7609 1.8418 1.8631 2.3948 2.3986 2.5749 2.5845 4.1690 4.1776 4.4807 4.4865 4.7756 4.7869 4.8212 4.8283 5.0506 5.0579 5.0988 5.1064 5.3054 5.3115 5.4723 5.4775 5.5404 5.5414 8.0288 8.0356 11.1084 11.2206 11.3353 11.3973 11.4376 11.5066 12.5811 12.6716 k = 0.0736-0.0494-0.1290 ( 12727 PWs) bands (ev): -37.3185 -37.3185 -36.7225 -36.7225 -13.3138 -13.3130 -11.2520 -11.2166 -11.1483 -11.1358 -10.8566 -10.8126 -10.5187 -10.4939 -10.4790 -10.4643 -4.1166 -4.1162 0.3083 0.3955 0.5990 0.6535 0.8230 0.9048 1.7335 1.7356 1.7630 1.7734 1.8787 1.9014 2.4147 2.4190 2.6355 2.6450 4.1592 4.1688 4.4730 4.4793 4.7529 4.7653 4.8044 4.8132 5.0390 5.0468 5.0955 5.1043 5.3024 5.3084 5.4579 5.4630 5.5386 5.5399 8.0482 8.0557 11.0757 11.1962 11.3181 11.3886 11.4456 11.5141 12.5603 12.6641 k = 0.0818-0.0549-0.1433 ( 12721 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.3047 -13.3038 -11.2703 -11.2349 -11.1546 -11.1414 -10.8562 -10.8110 -10.5179 -10.4930 -10.4707 -10.4561 -4.1007 -4.1002 0.2747 0.3652 0.5594 0.6199 0.8081 0.8899 1.7477 1.7497 1.7776 1.7871 1.9185 1.9422 2.4358 2.4406 2.6993 2.7084 4.1471 4.1576 4.4628 4.4693 4.7283 4.7420 4.7867 4.7974 5.0270 5.0351 5.0931 5.1027 5.2992 5.3050 5.4430 5.4480 5.5365 5.5380 8.0683 8.0765 11.0417 11.1699 11.2993 11.3782 11.4541 11.5214 12.5383 12.6550 k = 0.0900-0.0604-0.1577 ( 12723 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2947 -13.2937 -11.2889 -11.2537 -11.1612 -11.1474 -10.8569 -10.8112 -10.5172 -10.4926 -10.4608 -10.4470 -4.0838 -4.0832 0.2394 0.3313 0.5208 0.5851 0.7959 0.8765 1.7621 1.7641 1.7940 1.8026 1.9610 1.9853 2.4579 2.4631 2.7654 2.7739 4.1322 4.1436 4.4496 4.4561 4.7023 4.7173 4.7691 4.7817 5.0148 5.0231 5.0914 5.1017 5.2957 5.3014 5.4278 5.4325 5.5340 5.5357 8.0887 8.0976 11.0069 11.1418 11.2790 11.3659 11.4627 11.5284 12.5157 12.6446 k = 0.0982-0.0659-0.1720 ( 12725 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2840 -13.2829 -11.3076 -11.2726 -11.1682 -11.1539 -10.8590 -10.8131 -10.5164 -10.4925 -10.4497 -10.4369 -4.0659 -4.0653 0.2029 0.2942 0.4840 0.5497 0.7859 0.8645 1.7764 1.7787 1.8126 1.8199 2.0060 2.0305 2.4806 2.4864 2.8332 2.8410 4.1141 4.1262 4.4330 4.4392 4.6752 4.6914 4.7524 4.7669 5.0026 5.0108 5.0905 5.1013 5.2921 5.2976 5.4123 5.4168 5.5310 5.5330 8.1089 8.1185 10.9716 11.1124 11.2573 11.3518 11.4715 11.5352 12.4933 12.6330 k = 0.1064-0.0714-0.1863 ( 12720 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2727 -13.2715 -11.3263 -11.2917 -11.1755 -11.1607 -10.8622 -10.8165 -10.5157 -10.4925 -10.4376 -10.4261 -4.0474 -4.0466 0.1655 0.2548 0.4493 0.5146 0.7779 0.8538 1.7906 1.7935 1.8331 1.8394 2.0531 2.0778 2.5038 2.5101 2.9019 2.9090 4.0921 4.1047 4.4130 4.4186 4.6473 4.6645 4.7377 4.7537 4.9902 4.9983 5.0903 5.1014 5.2883 5.2937 5.3966 5.4007 5.5275 5.5298 8.1287 8.1388 10.9363 11.0819 11.2343 11.3358 11.4802 11.5418 12.4716 12.6205 k = 0.1146-0.0769-0.2007 ( 12724 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2606 -13.2593 -11.3448 -11.3108 -11.1830 -11.1679 -10.8665 -10.8212 -10.5150 -10.4927 -10.4250 -10.4147 -4.0283 -4.0274 0.1276 0.2138 0.4168 0.4801 0.7716 0.8444 1.8050 1.8085 1.8553 1.8608 2.1024 2.1269 2.5272 2.5341 2.9710 2.9773 4.0657 4.0787 4.3900 4.3946 4.6189 4.6370 4.7252 4.7424 4.9778 4.9857 5.0906 5.1019 5.2845 5.2896 5.3807 5.3846 5.5235 5.5261 8.1475 8.1582 10.9013 11.0507 11.2102 11.3181 11.4886 11.5479 12.4511 12.6075 k = 0.1227-0.0824-0.2150 ( 12730 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2481 -13.2466 -11.3631 -11.3297 -11.1908 -11.1753 -10.8717 -10.8271 -10.5143 -10.4929 -10.4119 -10.4028 -4.0089 -4.0078 0.0898 0.1722 0.3864 0.4468 0.7669 0.8363 1.8199 1.8238 1.8791 1.8839 2.1536 2.1777 2.5505 2.5580 3.0397 3.0455 4.0345 4.0476 4.3647 4.3680 4.5902 4.6088 4.7152 4.7333 4.9654 4.9730 5.0911 5.1026 5.2805 5.2855 5.3648 5.3686 5.5190 5.5219 8.1651 8.1764 10.8670 11.0189 11.1853 11.2986 11.4969 11.5537 12.4323 12.5943 k = 0.1309-0.0879-0.2293 ( 12730 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2350 -13.2334 -11.3811 -11.3483 -11.1987 -11.1830 -10.8776 -10.8340 -10.5137 -10.4932 -10.3987 -10.3907 -3.9894 -3.9881 0.0524 0.1307 0.3579 0.4148 0.7635 0.8295 1.8353 1.8396 1.9043 1.9087 2.2065 2.2302 2.5736 2.5818 3.1075 3.1129 3.9981 4.0111 4.3380 4.3398 4.5614 4.5803 4.7073 4.7262 4.9530 4.9604 5.0915 5.1032 5.2765 5.2811 5.3489 5.3530 5.5140 5.5172 8.1812 8.1929 10.8338 10.9868 11.1599 11.2774 11.5048 11.5590 12.4156 12.5813 k = 0.1391-0.0934-0.2437 ( 12736 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2215 -13.2198 -11.3986 -11.3667 -11.2067 -11.1909 -10.8841 -10.8416 -10.5132 -10.4935 -10.3855 -10.3786 -3.9699 -3.9685 0.0158 0.0900 0.3314 0.3845 0.7614 0.8240 1.8514 1.8561 1.9308 1.9349 2.2610 2.2842 2.5963 2.6053 3.1737 3.1789 3.9566 3.9693 4.3103 4.3114 4.5326 4.5516 4.7013 4.7209 4.9407 4.9478 5.0914 5.1034 5.2723 5.2763 5.3333 5.3383 5.5085 5.5121 8.1954 8.2076 10.8021 10.9547 11.1343 11.2548 11.5123 11.5639 12.4012 12.5689 k = 0.1473-0.0989-0.2580 ( 12740 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.2077 -13.2059 -11.4157 -11.3846 -11.2148 -11.1989 -10.8911 -10.8498 -10.5129 -10.4940 -10.3725 -10.3666 -3.9507 -3.9492 -0.0195 0.0506 0.3068 0.3560 0.7606 0.8197 1.8682 1.8733 1.9584 1.9624 2.3170 2.3394 2.6184 2.6283 3.2376 3.2429 3.9106 3.9228 4.2815 4.2841 4.5037 4.5227 4.6966 4.7168 4.9285 4.9353 5.0904 5.1028 5.2679 5.2707 5.3183 5.3250 5.5027 5.5065 8.2074 8.2200 10.7722 10.9228 11.1089 11.2310 11.5193 11.5683 12.3892 12.5574 k = 0.1555-0.1044-0.2723 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1937 -13.1917 -11.4323 -11.4021 -11.2227 -11.2070 -10.8984 -10.8584 -10.5126 -10.4945 -10.3599 -10.3548 -3.9321 -3.9303 -0.0532 0.0130 0.2842 0.3296 0.7609 0.8167 1.8858 1.8912 1.9871 1.9910 2.3742 2.3957 2.6398 2.6507 3.2980 3.3039 3.8609 3.8725 4.2530 4.2574 4.4749 4.4939 4.6926 4.7136 4.9164 4.9230 5.0882 5.1009 5.2626 5.2641 5.3047 5.3139 5.4965 5.5005 8.2171 8.2301 10.7444 10.8914 11.0842 11.2063 11.5259 11.5721 12.3798 12.5468 k = 0.1636-0.1099-0.2867 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1795 -13.1773 -11.4482 -11.4190 -11.2305 -11.2149 -10.9059 -10.8673 -10.5125 -10.4951 -10.3478 -10.3435 -3.9142 -3.9122 -0.0850 -0.0223 0.2637 0.3053 0.7624 0.8149 1.9043 1.9100 2.0168 2.0207 2.4323 2.4528 2.6605 2.6724 3.3537 3.3602 3.8093 3.8203 4.2250 4.2313 4.4463 4.4652 4.6891 4.7109 4.9044 4.9107 5.0845 5.0975 5.2546 5.2571 5.2938 5.3055 5.4901 5.4942 8.2241 8.2375 10.7189 10.8606 11.0607 11.1810 11.5320 11.5755 12.3727 12.5375 k = 0.1718-0.1154-0.3010 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1653 -13.1629 -11.4634 -11.4352 -11.2381 -11.2228 -10.9135 -10.8764 -10.5126 -10.4959 -10.3364 -10.3327 -3.8972 -3.8949 -0.1146 -0.0552 0.2454 0.2834 0.7649 0.8144 1.9236 1.9296 2.0474 2.0513 2.4910 2.5103 2.6804 2.6936 3.4020 3.4093 3.7588 3.7689 4.1979 4.2059 4.4178 4.4368 4.6856 4.7083 4.8926 4.8985 5.0790 5.0921 5.2446 5.2486 5.2864 5.2998 5.4834 5.4877 8.2284 8.2422 10.6960 10.8307 11.0387 11.1555 11.5376 11.5783 12.3679 12.5294 k = 0.1800-0.1209-0.3153 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1512 -13.1486 -11.4778 -11.4507 -11.2454 -11.2303 -10.9211 -10.8855 -10.5128 -10.4967 -10.3258 -10.3226 -3.8814 -3.8788 -0.1418 -0.0853 0.2293 0.2639 0.7686 0.8151 1.9438 1.9501 2.0787 2.0827 2.5498 2.5675 2.6997 2.7146 3.4377 3.4457 3.7151 3.7241 4.1716 4.1812 4.3896 4.4086 4.6817 4.7053 4.8808 4.8863 5.0716 5.0846 5.2337 5.2385 5.2825 5.2963 5.4766 5.4812 8.2296 8.2440 10.6759 10.8018 11.0187 11.1302 11.5425 11.5807 12.3653 12.5226 k = 0.1882-0.1264-0.3297 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1373 -13.1344 -11.4912 -11.4654 -11.2522 -11.2376 -10.9286 -10.8946 -10.5133 -10.4977 -10.3161 -10.3132 -3.8668 -3.8641 -0.1662 -0.1124 0.2157 0.2470 0.7733 0.8171 1.9649 1.9715 2.1108 2.1149 2.6077 2.6231 2.7189 2.7362 3.4512 3.4596 3.6879 3.6958 4.1463 4.1573 4.3618 4.3808 4.6771 4.7017 4.8688 4.8740 5.0624 5.0754 5.2227 5.2276 5.2810 5.2943 5.4697 5.4746 8.2279 8.2428 10.6586 10.7742 11.0010 11.1056 11.5469 11.5826 12.3647 12.5171 k = 0.1964-0.1319-0.3440 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1237 -13.1205 -11.5037 -11.4792 -11.2586 -11.2444 -10.9360 -10.9035 -10.5139 -10.4988 -10.3074 -10.3047 -3.8539 -3.8508 -0.1877 -0.1363 0.2045 0.2328 0.7790 0.8202 1.9869 1.9938 2.1434 2.1476 2.6622 2.6740 2.7402 2.7610 3.4344 3.4428 3.6852 3.6928 4.1222 4.1343 4.3345 4.3534 4.6716 4.6972 4.8567 4.8614 5.0519 5.0646 5.2118 5.2168 5.2810 5.2932 5.4629 5.4682 8.2230 8.2386 10.6443 10.7483 10.9861 11.0821 11.5507 11.5841 12.3660 12.5129 k = 0.2046-0.1374-0.3583 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.1105 -13.1071 -11.5152 -11.4919 -11.2645 -11.2507 -10.9432 -10.9123 -10.5148 -10.5000 -10.2998 -10.2970 -3.8425 -3.8392 -0.2062 -0.1568 0.1959 0.2214 0.7857 0.8246 2.0098 2.0169 2.1765 2.1809 2.7061 2.7143 2.7699 2.7942 3.3934 3.4019 3.7007 3.7090 4.0997 4.1127 4.3078 4.3266 4.6650 4.6914 4.8441 4.8485 5.0404 5.0530 5.2012 5.2063 5.2819 5.2927 5.4562 5.4621 8.2150 8.2313 10.6329 10.7243 10.9741 11.0602 11.5538 11.5853 12.3688 12.5098 k = 0.2127-0.1429-0.3727 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0979 -13.0941 -11.5254 -11.5035 -11.2698 -11.2564 -10.9502 -10.9209 -10.5159 -10.5014 -10.2933 -10.2904 -3.8331 -3.8295 -0.2213 -0.1738 0.1899 0.2129 0.7933 0.8302 2.0335 2.0409 2.2100 2.2144 2.7326 2.7406 2.8142 2.8383 3.3409 3.3491 3.7229 3.7320 4.0791 4.0929 4.2817 4.3003 4.6570 4.6841 4.8310 4.8352 5.0288 5.0410 5.1909 5.1963 5.2830 5.2925 5.4496 5.4564 8.2039 8.2209 10.6243 10.7026 10.9652 11.0402 11.5563 11.5863 12.3732 12.5079 k = 0.2209-0.1483-0.3870 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0859 -13.0818 -11.5343 -11.5139 -11.2744 -11.2615 -10.9570 -10.9291 -10.5173 -10.5030 -10.2880 -10.2848 -3.8255 -3.8217 -0.2331 -0.1872 0.1868 0.2073 0.8019 0.8369 2.0581 2.0657 2.2436 2.2482 2.7474 2.7570 2.8656 2.8876 3.2850 3.2931 3.7441 3.7537 4.0611 4.0755 4.2564 4.2746 4.6477 4.6751 4.8172 4.8213 5.0174 5.0293 5.1810 5.1867 5.2841 5.2924 5.4432 5.4511 8.1898 8.2076 10.6182 10.6839 10.9594 11.0225 11.5581 11.5871 12.3789 12.5071 k = 0.2291-0.1538-0.4013 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0746 -13.0702 -11.5419 -11.5229 -11.2783 -11.2660 -10.9635 -10.9371 -10.5189 -10.5048 -10.2839 -10.2803 -3.8200 -3.8159 -0.2414 -0.1970 0.1864 0.2047 0.8114 0.8448 2.0835 2.0914 2.2771 2.2820 2.7560 2.7671 2.9158 2.9353 3.2318 3.2402 3.7604 3.7703 4.0464 4.0610 4.2320 4.2497 4.6369 4.6643 4.8028 4.8071 5.0066 5.0183 5.1712 5.1775 5.2848 5.2924 5.4371 5.4462 8.1727 8.1914 10.6140 10.6687 10.9569 11.0076 11.5593 11.5878 12.3859 12.5073 k = 0.2373-0.1593-0.4157 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0642 -13.0595 -11.5480 -11.5305 -11.2815 -11.2696 -10.9696 -10.9447 -10.5209 -10.5068 -10.2809 -10.2770 -3.8167 -3.8123 -0.2461 -0.2030 0.1888 0.2051 0.8217 0.8538 2.1096 2.1177 2.3105 2.3155 2.7594 2.7718 2.9576 2.9734 3.1890 3.1988 3.7697 3.7796 4.0354 4.0498 4.2087 4.2256 4.6247 4.6516 4.7882 4.7926 4.9968 5.0083 5.1617 5.1685 5.2847 5.2923 5.4314 5.4417 8.1529 8.1724 10.6109 10.6582 10.9574 10.9957 11.5599 11.5885 12.3939 12.5086 k = 0.2455-0.1648-0.4300 ( 12770 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0548 -13.0497 -11.5525 -11.5365 -11.2840 -11.2725 -10.9754 -10.9519 -10.5232 -10.5091 -10.2792 -10.2749 -3.8155 -3.8109 -0.2471 -0.2051 0.1941 0.2086 0.8329 0.8639 2.1365 2.1447 2.3435 2.3486 2.7567 2.7699 2.9797 2.9899 3.1697 3.1830 3.7710 3.7811 4.0279 4.0415 4.1867 4.2025 4.6112 4.6371 4.7734 4.7781 4.9879 4.9992 5.1525 5.1598 5.2839 5.2923 5.4260 5.4376 8.1305 8.1507 10.6079 10.6534 10.9609 10.9872 11.5600 11.5892 12.4031 12.5110 k = 0.2537-0.1703-0.4443 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0464 -13.0409 -11.5554 -11.5409 -11.2856 -11.2747 -10.9808 -10.9587 -10.5257 -10.5116 -10.2788 -10.2739 -3.8165 -3.8117 -0.2445 -0.2035 0.2021 0.2152 0.8448 0.8750 2.1639 2.1723 2.3757 2.3810 2.7455 2.7590 2.9750 2.9813 3.1830 3.1995 3.7648 3.7752 4.0226 4.0350 4.1665 4.1807 4.5967 4.6211 4.7589 4.7641 4.9797 4.9909 5.1434 5.1513 5.2823 5.2920 5.4208 5.4337 8.1056 8.1266 10.6049 10.6545 10.9667 10.9827 11.5597 11.5901 12.4132 12.5145 k = 0.2618-0.1758-0.4587 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0390 -13.0333 -11.5567 -11.5436 -11.2866 -11.2760 -10.9858 -10.9650 -10.5287 -10.5144 -10.2795 -10.2742 -3.8197 -3.8146 -0.2381 -0.1981 0.2130 0.2248 0.8575 0.8872 2.1918 2.2004 2.4068 2.4123 2.7232 2.7365 2.9575 2.9636 3.2179 3.2353 3.7521 3.7630 4.0177 4.0283 4.1486 4.1607 4.5816 4.6043 4.7448 4.7506 4.9719 4.9832 5.1344 5.1430 5.2803 5.2915 5.4160 5.4299 8.0786 8.1003 10.6029 10.6606 10.9734 10.9838 11.5593 11.5910 12.4242 12.5193 k = 0.2700-0.1813-0.4730 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0328 -13.0268 -11.5562 -11.5446 -11.2867 -11.2765 -10.9904 -10.9708 -10.5320 -10.5175 -10.2815 -10.2756 -3.8251 -3.8198 -0.2281 -0.1888 0.2265 0.2375 0.8708 0.9003 2.2200 2.2286 2.4364 2.4421 2.6891 2.7016 2.9425 2.9501 3.2605 3.2775 3.7343 3.7461 4.0113 4.0196 4.1335 4.1431 4.5665 4.5873 4.7311 4.7377 4.9644 4.9757 5.1256 5.1347 5.2779 5.2907 5.4112 5.4262 8.0497 8.0718 10.6028 10.6707 10.9786 10.9925 11.5587 11.5922 12.4361 12.5253 k = 0.2782-0.1868-0.4873 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0278 -13.0214 -11.5540 -11.5437 -11.2862 -11.2762 -10.9945 -10.9760 -10.5357 -10.5209 -10.2847 -10.2783 -3.8325 -3.8270 -0.2144 -0.1759 0.2426 0.2532 0.8848 0.9143 2.2483 2.2568 2.4639 2.4699 2.6454 2.6568 2.9350 2.9443 3.3038 3.3198 3.7131 3.7260 4.0014 4.0074 4.1217 4.1288 4.5521 4.5710 4.7179 4.7254 4.9568 4.9683 5.1169 5.1265 5.2752 5.2896 5.4065 5.4222 8.0190 8.0415 10.6056 10.6840 10.9850 11.0060 11.5582 11.5935 12.4488 12.5326 k = 0.2864-0.1923-0.5017 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0239 -13.0173 -11.5501 -11.5411 -11.2849 -11.2752 -10.9982 -10.9807 -10.5398 -10.5246 -10.2891 -10.2820 -3.8420 -3.8363 -0.1970 -0.1592 0.2612 0.2718 0.8993 0.9292 2.2761 2.2845 2.4881 2.4943 2.5970 2.6071 2.9345 2.9451 3.3443 3.3588 3.6897 3.7042 3.9872 3.9912 4.1129 4.1180 4.5392 4.5563 4.7051 4.7134 4.9489 4.9607 5.1083 5.1183 5.2723 5.2881 5.4018 5.4181 7.9868 8.0096 10.6115 10.7000 10.9944 11.0222 11.5579 11.5952 12.4622 12.5414 k = 0.2946-0.1978-0.5160 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0212 -13.0144 -11.5445 -11.5366 -11.2830 -11.2735 -11.0013 -10.9847 -10.5443 -10.5288 -10.2946 -10.2869 -3.8533 -3.8475 -0.1762 -0.1390 0.2822 0.2932 0.9144 0.9449 2.3027 2.3106 2.5021 2.5090 2.5548 2.5614 2.9395 2.9510 3.3791 3.3919 3.6659 3.6827 3.9689 3.9717 4.1063 4.1104 4.5284 4.5438 4.6926 4.7017 4.9406 4.9528 5.0998 5.1102 5.2693 5.2862 5.3969 5.4135 7.9534 7.9763 10.6208 10.7186 11.0070 11.0404 11.5579 11.5973 12.4761 12.5516 k = 0.3027-0.2033-0.5303 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0196 -13.0126 -11.5374 -11.5303 -11.2805 -11.2711 -11.0039 -10.9881 -10.5493 -10.5333 -10.3012 -10.2928 -3.8663 -3.8604 -0.1518 -0.1153 0.3054 0.3172 0.9300 0.9613 2.3259 2.3330 2.4761 2.4863 2.5487 2.5548 2.9489 2.9609 3.4046 3.4160 3.6444 3.6641 3.9474 3.9498 4.1014 4.1052 4.5204 4.5342 4.6803 4.6899 4.9318 4.9444 5.0913 5.1021 5.2659 5.2840 5.3917 5.4086 7.9190 7.9419 10.6337 10.7395 11.0226 11.0603 11.5582 11.5998 12.4906 12.5633 k = 0.3109-0.2088-0.5447 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0191 -13.0120 -11.5288 -11.5221 -11.2774 -11.2681 -11.0059 -10.9906 -10.5548 -10.5382 -10.3089 -10.2998 -3.8809 -3.8749 -0.1241 -0.0882 0.3309 0.3437 0.9460 0.9783 2.3388 2.3442 2.4368 2.4481 2.5627 2.5708 2.9619 2.9741 3.4163 3.4278 3.6287 3.6516 3.9243 3.9265 4.0973 4.1013 4.5156 4.5280 4.6679 4.6781 4.9224 4.9355 5.0830 5.0940 5.2622 5.2811 5.3862 5.4031 7.8838 7.9065 10.6501 10.7627 11.0411 11.0815 11.5590 11.6028 12.5055 12.5765 k = 0.3191-0.2143-0.5590 ( 12774 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0196 -13.0124 -11.5188 -11.5123 -11.2738 -11.2645 -11.0072 -10.9924 -10.5607 -10.5436 -10.3175 -10.3076 -3.8969 -3.8909 -0.0932 -0.0578 0.3584 0.3724 0.9623 0.9959 2.3221 2.3281 2.4214 2.4334 2.5783 2.5881 2.9778 2.9901 3.4114 3.4242 3.6223 3.6472 3.9006 3.9030 4.0934 4.0980 4.5144 4.5253 4.6555 4.6662 4.9124 4.9261 5.0749 5.0862 5.2580 5.2776 5.3803 5.3972 7.8481 7.8706 10.6699 10.7882 11.0620 11.1037 11.5603 11.6064 12.5207 12.5911 k = 0.3273-0.2198-0.5733 ( 12782 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0210 -13.0138 -11.5076 -11.5008 -11.2698 -11.2605 -11.0080 -10.9933 -10.5672 -10.5494 -10.3271 -10.3164 -3.9142 -3.9081 -0.0592 -0.0243 0.3878 0.4032 0.9790 1.0139 2.2792 2.2861 2.4300 2.4415 2.5934 2.6054 2.9958 3.0082 3.3915 3.4056 3.6246 3.6494 3.8777 3.8804 4.0894 4.0949 4.5168 4.5262 4.6431 4.6541 4.9020 4.9163 5.0672 5.0786 5.2532 5.2732 5.3741 5.3907 7.8122 7.8342 10.6932 10.8158 11.0849 11.1268 11.5622 11.6105 12.5360 12.6070 k = 0.3355-0.2253-0.5877 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0233 -13.0161 -11.4951 -11.4878 -11.2656 -11.2562 -11.0080 -10.9933 -10.5741 -10.5558 -10.3375 -10.3259 -3.9324 -3.9264 -0.0222 0.0121 0.4190 0.4359 0.9959 1.0323 2.2289 2.2360 2.4435 2.4544 2.6087 2.6230 3.0146 3.0273 3.3612 3.3766 3.6310 3.6544 3.8567 3.8597 4.0849 4.0914 4.5226 4.5306 4.6306 4.6421 4.8910 4.9060 5.0600 5.0716 5.2475 5.2678 5.3675 5.3836 7.7762 7.7976 10.7197 10.8454 11.1095 11.1504 11.5647 11.6152 12.5515 12.6239 k = 0.3437-0.2308-0.6020 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0263 -13.0192 -11.4816 -11.4735 -11.2611 -11.2515 -11.0073 -10.9923 -10.5816 -10.5627 -10.3486 -10.3362 -3.9515 -3.9455 0.0175 0.0512 0.4518 0.4701 1.0131 1.0510 2.1776 2.1846 2.4547 2.4652 2.6250 2.6416 3.0322 3.0458 3.3259 3.3428 3.6371 3.6585 3.8386 3.8422 4.0795 4.0873 4.5315 4.5378 4.6183 4.6302 4.8797 4.8953 5.0536 5.0651 5.2409 5.2612 5.3607 5.3762 7.7403 7.7611 10.7494 10.8771 11.1352 11.1742 11.5678 11.6205 12.5670 12.6417 k = 0.3518-0.2363-0.6163 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0300 -13.0229 -11.4671 -11.4581 -11.2564 -11.2467 -11.0057 -10.9903 -10.5896 -10.5701 -10.3603 -10.3470 -3.9712 -3.9653 0.0598 0.0929 0.4859 0.5057 1.0303 1.0699 2.1270 2.1338 2.4618 2.4718 2.6423 2.6612 3.0457 3.0606 3.2912 3.3100 3.6402 3.6591 3.8243 3.8288 4.0732 4.0822 4.5424 4.5471 4.6065 4.6191 4.8680 4.8844 5.0480 5.0596 5.2333 5.2535 5.3536 5.3683 7.7048 7.7248 10.7820 10.9106 11.1618 11.1982 11.5714 11.6264 12.5824 12.6599 k = 0.3600-0.2417-0.6307 ( 12744 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0342 -13.0273 -11.4518 -11.4417 -11.2518 -11.2418 -11.0034 -10.9873 -10.5982 -10.5782 -10.3726 -10.3584 -3.9913 -3.9855 0.1043 0.1370 0.5213 0.5425 1.0476 1.0888 2.0779 2.0845 2.4642 2.4738 2.6601 2.6808 3.0503 3.0668 3.2641 3.2846 3.6390 3.6555 3.8143 3.8197 4.0657 4.0760 4.5535 4.5568 4.5963 4.6098 4.8562 4.8732 5.0435 5.0550 5.2245 5.2444 5.3463 5.3602 7.6699 7.6891 10.8172 10.9457 11.1885 11.2220 11.5758 11.6328 12.5975 12.6783 k = 0.3682-0.2472-0.6450 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0388 -13.0321 -11.4357 -11.4246 -11.2473 -11.2369 -11.0002 -10.9833 -10.6072 -10.5868 -10.3852 -10.3703 -4.0116 -4.0059 0.1510 0.1831 0.5576 0.5802 1.0649 1.1077 2.0307 2.0371 2.4624 2.4717 2.6762 2.6987 3.0421 3.0590 3.2523 3.2730 3.6335 3.6477 3.8083 3.8145 4.0572 4.0687 4.5602 4.5637 4.5916 4.6051 4.8443 4.8619 5.0403 5.0517 5.2147 5.2341 5.3390 5.3518 7.6358 7.6541 10.8548 10.9822 11.2151 11.2457 11.5807 11.6396 12.6121 12.6964 k = 0.6318 0.0193-0.4617 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0388 -13.0321 -11.4357 -11.4246 -11.2473 -11.2369 -11.0002 -10.9833 -10.6072 -10.5868 -10.3852 -10.3703 -4.0116 -4.0059 0.1510 0.1831 0.5576 0.5802 1.0650 1.1077 2.0307 2.0371 2.4624 2.4717 2.6762 2.6987 3.0421 3.0590 3.2523 3.2730 3.6335 3.6478 3.8083 3.8145 4.0572 4.0687 4.5602 4.5637 4.5916 4.6051 4.8443 4.8619 5.0403 5.0517 5.2147 5.2340 5.3390 5.3518 7.6358 7.6541 10.8548 10.9822 11.2151 11.2457 11.5807 11.6396 12.6121 12.6964 k = 0.6240 0.0338-0.4617 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0434 -13.0370 -11.4199 -11.4079 -11.2431 -11.2322 -10.9965 -10.9785 -10.6162 -10.5955 -10.3975 -10.3818 -4.0308 -4.0253 0.1968 0.2284 0.5928 0.6165 1.0813 1.1255 1.9879 1.9941 2.4573 2.4664 2.6873 2.7110 3.0239 3.0399 3.2567 3.2761 3.6252 3.6377 3.8054 3.8123 4.0481 4.0607 4.5582 4.5626 4.5971 4.6078 4.8330 4.8512 5.0385 5.0499 5.2045 5.2232 5.3321 5.3438 7.6044 7.6218 10.8924 11.0179 11.2396 11.2678 11.5859 11.6465 12.6253 12.7129 k = 0.6163 0.0484-0.4617 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0483 -13.0421 -11.4038 -11.3909 -11.2392 -11.2275 -10.9920 -10.9730 -10.6256 -10.6047 -10.4098 -10.3935 -4.0498 -4.0445 0.2439 0.2749 0.6286 0.6532 1.0976 1.1432 1.9471 1.9532 2.4495 2.4586 2.6906 2.7146 3.0029 3.0174 3.2716 3.2894 3.6150 3.6260 3.8045 3.8117 4.0382 4.0518 4.5509 4.5565 4.6077 4.6158 4.8220 4.8406 5.0381 5.0493 5.1936 5.2115 5.3254 5.3358 7.5740 7.5905 10.9315 11.0544 11.2630 11.2897 11.5916 11.6536 12.6377 12.7283 k = 0.6085 0.0629-0.4617 ( 12770 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0532 -13.0473 -11.3874 -11.3737 -11.2356 -11.2228 -10.9868 -10.9667 -10.6353 -10.6144 -10.4222 -10.4054 -4.0685 -4.0634 0.2920 0.3225 0.6649 0.6901 1.1138 1.1605 1.9084 1.9144 2.4394 2.4487 2.6821 2.7051 2.9878 3.0001 3.2921 3.3089 3.6040 3.6137 3.8047 3.8120 4.0274 4.0420 4.5424 4.5486 4.6184 4.6253 4.8114 4.8301 5.0389 5.0501 5.1823 5.1991 5.3187 5.3279 7.5448 7.5603 10.9719 11.0914 11.2851 11.3113 11.5978 11.6609 12.6489 12.7422 k = 0.6008 0.0775-0.4617 ( 12762 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0582 -13.0526 -11.3710 -11.3565 -11.2322 -11.2180 -10.9810 -10.9597 -10.6453 -10.6246 -10.4345 -10.4173 -4.0866 -4.0817 0.3406 0.3706 0.7014 0.7269 1.1299 1.1775 1.8720 1.8779 2.4275 2.4371 2.6595 2.6801 2.9836 2.9930 3.3153 3.3314 3.5929 3.6016 3.8054 3.8127 4.0159 4.0315 4.5341 4.5407 4.6276 4.6341 4.8014 4.8199 5.0407 5.0519 5.1710 5.1865 5.3123 5.3202 7.5169 7.5314 11.0132 11.1284 11.3055 11.3324 11.6045 11.6682 12.6588 12.7542 k = 0.5930 0.0920-0.4617 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0631 -13.0578 -11.3548 -11.3395 -11.2291 -11.2132 -10.9747 -10.9523 -10.6554 -10.6352 -10.4466 -10.4292 -4.1041 -4.0995 0.3895 0.4188 0.7382 0.7635 1.1458 1.1941 1.8379 1.8437 2.4138 2.4238 2.6241 2.6419 2.9898 2.9969 3.3394 3.3551 3.5825 3.5905 3.8064 3.8136 4.0038 4.0204 4.5266 4.5332 4.6346 4.6411 4.7922 4.8101 5.0431 5.0543 5.1604 5.1742 5.3061 5.3128 7.4906 7.5040 11.0550 11.1653 11.3242 11.3529 11.6116 11.6755 12.6672 12.7639 k = 0.5853 0.1065-0.4617 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0678 -13.0629 -11.3391 -11.3230 -11.2261 -11.2083 -10.9680 -10.9446 -10.6655 -10.6461 -10.4583 -10.4410 -4.1207 -4.1164 0.4379 0.4666 0.7749 0.7996 1.1617 1.2101 1.8062 1.8119 2.3983 2.4089 2.5797 2.5954 3.0029 3.0093 3.3631 3.3783 3.5733 3.5810 3.8074 3.8144 3.9912 4.0086 4.5201 4.5266 4.6390 4.6457 4.7840 4.8009 5.0451 5.0564 5.1513 5.1630 5.3003 5.3058 7.4658 7.4782 11.0968 11.2015 11.3411 11.3725 11.6191 11.6826 12.6738 12.7710 k = 0.5775 0.1211-0.4617 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0724 -13.0679 -11.3240 -11.3072 -11.2232 -11.2032 -10.9610 -10.9368 -10.6755 -10.6572 -10.4696 -10.4525 -4.1364 -4.1324 0.4855 0.5134 0.8116 0.8350 1.1775 1.2256 1.7769 1.7826 2.3803 2.3917 2.5310 2.5453 3.0200 3.0271 3.3854 3.3998 3.5660 3.5741 3.8083 3.8152 3.9781 3.9964 4.5146 4.5210 4.6408 4.6477 4.7770 4.7925 5.0458 5.0573 5.1449 5.1538 5.2947 5.2993 7.4428 7.4541 11.1381 11.2366 11.3565 11.3909 11.6269 11.6895 12.6787 12.7751 k = 0.5698 0.1356-0.4617 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0766 -13.0725 -11.3098 -11.2924 -11.2201 -11.1978 -10.9539 -10.9291 -10.6853 -10.6682 -10.4803 -10.4637 -4.1509 -4.1473 0.5314 0.5584 0.8479 0.8695 1.1933 1.2405 1.7501 1.7557 2.3583 2.3707 2.4830 2.4963 3.0391 3.0471 3.4054 3.4184 3.5611 3.5707 3.8092 3.8161 3.9647 3.9837 4.5104 4.5165 4.6400 4.6471 4.7713 4.7850 5.0440 5.0558 5.1420 5.1478 5.2896 5.2933 7.4216 7.4319 11.1785 11.2701 11.3702 11.4080 11.6350 11.6959 12.6819 12.7761 k = 0.5620 0.1502-0.4617 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0806 -13.0769 -11.2969 -11.2790 -11.2166 -11.1922 -10.9468 -10.9218 -10.6945 -10.6791 -10.4903 -10.4744 -4.1643 -4.1610 0.5752 0.6010 0.8836 0.9028 1.2092 1.2548 1.7258 1.7314 2.3297 2.3427 2.4413 2.4532 3.0589 3.0678 3.4218 3.4329 3.5595 3.5716 3.8102 3.8171 3.9510 3.9707 4.5073 4.5131 4.6369 4.6443 4.7668 4.7784 5.0395 5.0513 5.1426 5.1457 5.2848 5.2879 7.4025 7.4116 11.2173 11.3017 11.3824 11.4235 11.6433 11.7018 12.6835 12.7740 k = 0.5543 0.1647-0.4617 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0842 -13.0809 -11.2855 -11.2675 -11.2122 -11.1864 -10.9399 -10.9151 -10.7031 -10.6895 -10.4994 -10.4846 -4.1763 -4.1734 0.6159 0.6404 0.9182 0.9346 1.2252 1.2683 1.7042 1.7096 2.2928 2.3055 2.4101 2.4199 3.0785 3.0877 3.4338 3.4428 3.5619 3.5768 3.8114 3.8185 3.9372 3.9574 4.5053 4.5108 4.6321 4.6397 4.7633 4.7729 5.0327 5.0442 5.1456 5.1474 5.2804 5.2832 7.3854 7.3934 11.2537 11.3309 11.3932 11.4374 11.6517 11.7068 12.6841 12.7690 k = 0.5465 0.1793-0.4617 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0873 -13.0845 -11.2758 -11.2584 -11.2066 -11.1807 -10.9333 -10.9095 -10.7108 -10.6993 -10.5075 -10.4941 -4.1869 -4.1844 0.6530 0.6757 0.9509 0.9645 1.2415 1.2811 1.6852 1.6904 2.2496 2.2615 2.3886 2.3960 3.0970 3.1062 3.4411 3.4486 3.5684 3.5855 3.8131 3.8204 3.9235 3.9439 4.5043 4.5095 4.6263 4.6338 4.7606 4.7684 5.0248 5.0354 5.1496 5.1519 5.2766 5.2792 7.3704 7.3773 11.2872 11.3570 11.4029 11.4495 11.6601 11.7109 12.6839 12.7614 k = 0.5388 0.1938-0.4617 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0900 -13.0877 -11.2676 -11.2520 -11.1997 -11.1753 -10.9272 -10.9050 -10.7174 -10.7081 -10.5146 -10.5028 -4.1960 -4.1938 0.6858 0.7062 0.9810 0.9920 1.2579 1.2931 1.6690 1.6739 2.2050 2.2160 2.3733 2.3789 3.1138 3.1225 3.4447 3.4510 3.5779 3.5958 3.8154 3.8231 3.9100 3.9303 4.5042 4.5089 4.6200 4.6272 4.7587 4.7648 5.0167 5.0262 5.1545 5.1573 5.2732 5.2758 7.3577 7.3635 11.3170 11.3791 11.4122 11.4597 11.6686 11.7139 12.6837 12.7520 k = 0.5310 0.2084-0.4617 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0922 -13.0903 -11.2610 -11.2479 -11.1920 -11.1706 -10.9214 -10.9019 -10.7229 -10.7156 -10.5203 -10.5105 -4.2034 -4.2017 0.7138 0.7313 1.0074 1.0163 1.2741 1.3039 1.6556 1.6600 2.1632 2.1730 2.3620 2.3663 3.1286 3.1363 3.4460 3.4514 3.5890 3.6060 3.8186 3.8269 3.8969 3.9167 4.5048 4.5089 4.6139 4.6205 4.7572 4.7620 5.0094 5.0174 5.1595 5.1625 5.2706 5.2731 7.3474 7.3520 11.3425 11.3949 11.4229 11.4675 11.6769 11.7154 12.6840 12.7412 k = 0.5233 0.2229-0.4617 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0939 -13.0925 -11.2557 -11.2457 -11.1842 -11.1672 -10.9162 -10.9003 -10.7270 -10.7218 -10.5246 -10.5170 -4.2093 -4.2080 0.7366 0.7505 1.0292 1.0363 1.2895 1.3130 1.6451 1.6488 2.1274 2.1355 2.3538 2.3569 3.1407 3.1470 3.4462 3.4505 3.6000 3.6145 3.8229 3.8318 3.8847 3.9033 4.5058 4.5092 4.6087 4.6142 4.7563 4.7598 5.0034 5.0096 5.1641 5.1668 5.2687 5.2708 7.3393 7.3428 11.3635 11.4033 11.4362 11.4727 11.6850 11.7154 12.6854 12.7299 k = 0.5155 0.2374-0.4617 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0951 -13.0941 -11.2516 -11.2449 -11.1772 -11.1654 -10.9115 -10.9003 -10.7298 -10.7264 -10.5274 -10.5222 -4.2134 -4.2126 0.7539 0.7635 1.0457 1.0509 1.3032 1.3194 1.6377 1.6403 2.1001 2.1060 2.3481 2.3502 3.1501 3.1545 3.4462 3.4492 3.6097 3.6202 3.8282 3.8374 3.8742 3.8905 4.5071 4.5095 4.6049 4.6089 4.7559 4.7582 4.9992 5.0034 5.1678 5.1699 5.2675 5.2691 7.3338 7.3361 11.3798 11.4060 11.4497 11.4750 11.6927 11.7137 12.6884 12.7189 k = 0.5078 0.2520-0.4617 ( 12762 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0957 -13.0952 -11.2486 -11.2452 -11.1714 -11.1654 -10.9074 -10.9016 -10.7312 -10.7295 -10.5286 -10.5259 -4.2158 -4.2154 0.7654 0.7704 1.0565 1.0593 1.3139 1.3222 1.6334 1.6349 2.0835 2.0867 2.3450 2.3460 3.1563 3.1586 3.4464 3.4479 3.6171 3.6227 3.8343 3.8415 3.8679 3.8789 4.5082 4.5095 4.6029 4.6050 4.7558 4.7570 4.9970 4.9991 5.1704 5.1715 5.2670 5.2678 7.3306 7.3318 11.3919 11.4048 11.4610 11.4739 11.6996 11.7104 12.6933 12.7088 k = 0.5000 0.2665-0.4617 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0957 -13.0957 -11.2464 -11.2464 -11.1674 -11.1674 -10.9040 -10.9040 -10.7311 -10.7311 -10.5281 -10.5281 -4.2165 -4.2165 0.7710 0.7710 1.0612 1.0612 1.3204 1.3204 1.6325 1.6325 2.0789 2.0789 2.3443 2.3443 3.1591 3.1591 3.4469 3.4469 3.6216 3.6216 3.8400 3.8400 3.8701 3.8701 4.5091 4.5091 4.6029 4.6029 4.7562 4.7562 4.9969 4.9969 5.1717 5.1717 5.2671 5.2671 7.3300 7.3300 11.4001 11.4001 11.4692 11.4692 11.7057 11.7057 12.7001 12.7001 k = 0.5000 0.2665-0.4617 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0957 -13.0957 -11.2464 -11.2464 -11.1674 -11.1674 -10.9040 -10.9040 -10.7311 -10.7311 -10.5281 -10.5281 -4.2165 -4.2165 0.7710 0.7710 1.0612 1.0612 1.3204 1.3204 1.6325 1.6325 2.0789 2.0789 2.3443 2.3443 3.1591 3.1591 3.4469 3.4469 3.6216 3.6216 3.8400 3.8400 3.8701 3.8701 4.5091 4.5091 4.6029 4.6029 4.7562 4.7562 4.9969 4.9969 5.1717 5.1717 5.2671 5.2671 7.3300 7.3300 11.4001 11.4001 11.4692 11.4692 11.7057 11.7057 12.7001 12.7001 k = 0.5094 0.2715-0.4486 ( 12762 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0956 -13.0952 -11.2480 -11.2459 -11.1685 -11.1678 -10.9081 -10.9048 -10.7299 -10.7276 -10.5272 -10.5271 -4.2155 -4.2151 0.7598 0.7771 1.0470 1.0669 1.3166 1.3195 1.6330 1.6349 2.0848 2.0853 2.3452 2.3464 3.1574 3.1591 3.4422 3.4445 3.6220 3.6246 3.8318 3.8430 3.8696 3.8793 4.5059 4.5074 4.6038 4.6056 4.7553 4.7588 4.9958 4.9974 5.1715 5.1738 5.2644 5.2667 7.3316 7.3325 11.3896 11.4076 11.4615 11.4742 11.7032 11.7110 12.6853 12.7122 k = 0.5188 0.2766-0.4355 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0949 -13.0941 -11.2505 -11.2463 -11.1711 -11.1696 -10.9163 -10.9101 -10.7244 -10.7201 -10.5244 -10.5242 -4.2121 -4.2113 0.7436 0.7782 1.0249 1.0644 1.3083 1.3140 1.6367 1.6402 2.1022 2.1033 2.3493 2.3517 3.1539 3.1572 3.4311 3.4352 3.6255 3.6302 3.8238 3.8394 3.8797 3.8924 4.4983 4.5011 4.6079 4.6112 4.7562 4.7630 4.9942 4.9973 5.1730 5.1779 5.2585 5.2635 7.3375 7.3391 11.3762 11.4115 11.4519 11.4762 11.7037 11.7186 12.6681 12.7213 k = 0.5282 0.2816-0.4225 ( 12752 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0935 -13.0924 -11.2540 -11.2479 -11.1750 -11.1727 -10.9277 -10.9190 -10.7154 -10.7096 -10.5198 -10.5195 -4.2063 -4.2052 0.7223 0.7740 0.9963 1.0544 1.2961 1.3045 1.6435 1.6482 2.1295 2.1314 2.3566 2.3602 3.1486 3.1535 3.4146 3.4201 3.6312 3.6373 3.8176 3.8348 3.8943 3.9075 4.4874 4.4913 4.6142 4.6187 4.7585 4.7685 4.9922 4.9968 5.1756 5.1836 5.2499 5.2580 7.3474 7.3498 11.3602 11.4103 11.4423 11.4755 11.7068 11.7281 12.6487 12.7270 k = 0.5377 0.2866-0.4094 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0916 -13.0901 -11.2587 -11.2506 -11.1802 -11.1770 -10.9410 -10.9304 -10.7040 -10.6971 -10.5134 -10.5131 -4.1983 -4.1968 0.6960 0.7637 0.9630 1.0383 1.2809 1.2918 1.6533 1.6587 2.1643 2.1672 2.3675 2.3722 3.1415 3.1479 3.3942 3.4005 3.6382 3.6451 3.8138 3.8318 3.9109 3.9240 4.4741 4.4790 4.6219 4.6274 4.7619 4.7747 4.9899 4.9960 5.1783 5.1900 5.2398 5.2518 7.3611 7.3644 11.3417 11.4016 11.4358 11.4726 11.7119 11.7386 12.6273 12.7289 k = 0.5471 0.2916-0.3963 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0892 -13.0873 -11.2645 -11.2547 -11.1865 -11.1822 -10.9552 -10.9430 -10.6912 -10.6836 -10.5054 -10.5051 -4.1880 -4.1861 0.6649 0.7467 0.9272 1.0173 1.2635 1.2768 1.6661 1.6719 2.2037 2.2077 2.3826 2.3885 3.1326 3.1404 3.3706 3.3776 3.6457 3.6530 3.8125 3.8309 3.9289 3.9417 4.4590 4.4647 4.6304 4.6364 4.7658 4.7812 4.9876 4.9951 5.1793 5.1949 5.2308 5.2468 7.3786 7.3827 11.3209 11.3861 11.4322 11.4680 11.7184 11.7495 12.6040 12.7268 k = 0.5565 0.2966-0.3832 ( 12742 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0862 -13.0840 -11.2718 -11.2604 -11.1937 -11.1883 -10.9697 -10.9561 -10.6777 -10.6695 -10.4959 -10.4956 -4.1755 -4.1733 0.6292 0.7219 0.8914 0.9926 1.2447 1.2600 1.6816 1.6875 2.2444 2.2493 2.4033 2.4102 3.1219 3.1309 3.3449 3.3523 3.6536 3.6610 3.8135 3.8321 3.9477 3.9603 4.4424 4.4489 4.6392 4.6456 4.7699 4.7874 4.9853 4.9942 5.1767 5.1926 5.2290 5.2456 7.3995 7.4044 11.2983 11.3668 11.4293 11.4621 11.7254 11.7602 12.5793 12.7202 k = 0.5659 0.3017-0.3701 ( 12747 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0827 -13.0802 -11.2804 -11.2677 -11.2016 -11.1951 -10.9837 -10.9690 -10.6640 -10.6555 -10.4851 -10.4848 -4.1610 -4.1585 0.5894 0.6889 0.8572 0.9650 1.2250 1.2422 1.6997 1.7055 2.2827 2.2881 2.4315 2.4391 3.1093 3.1194 3.3176 3.3254 3.6618 3.6693 3.8165 3.8351 3.9673 3.9796 4.4244 4.4317 4.6481 4.6547 4.7736 4.7929 4.9831 4.9931 5.1701 5.1823 5.2360 5.2492 7.4236 7.4293 11.2740 11.3452 11.4258 11.4552 11.7324 11.7703 12.5531 12.7090 k = 0.5753 0.3067-0.3570 ( 12745 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0788 -13.0760 -11.2905 -11.2769 -11.2099 -11.2023 -10.9968 -10.9812 -10.6505 -10.6416 -10.4733 -10.4728 -4.1446 -4.1418 0.5463 0.6484 0.8252 0.9352 1.2052 1.2238 1.7202 1.7259 2.3157 2.3209 2.4686 2.4763 3.0949 3.1059 3.2894 3.2976 3.6707 3.6783 3.8211 3.8395 3.9873 3.9994 4.4050 4.4132 4.6569 4.6633 4.7768 4.7974 4.9809 4.9916 5.1612 5.1696 5.2470 5.2569 7.4506 7.4571 11.2486 11.3221 11.4215 11.4475 11.7388 11.7791 12.5259 12.6931 k = 0.5847 0.3117-0.3439 ( 12748 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0746 -13.0714 -11.3021 -11.2880 -11.2186 -11.2101 -11.0087 -10.9923 -10.6374 -10.6282 -10.4605 -10.4598 -4.1265 -4.1233 0.5006 0.6020 0.7946 0.9035 1.1855 1.2053 1.7429 1.7485 2.3424 2.3470 2.5136 2.5211 3.0784 3.0903 3.2611 3.2696 3.6807 3.6885 3.8268 3.8448 4.0078 4.0197 4.3842 4.3932 4.6654 4.6714 4.7792 4.8007 4.9785 4.9896 5.1523 5.1579 5.2594 5.2671 7.4803 7.4875 11.2222 11.2979 11.4162 11.4394 11.7442 11.7864 12.4980 12.6728 k = 0.5941 0.3167-0.3308 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0700 -13.0666 -11.3150 -11.3008 -11.2274 -11.2182 -11.0191 -11.0022 -10.6248 -10.6154 -10.4470 -10.4461 -4.1067 -4.1033 0.4530 0.5516 0.7645 0.8701 1.1663 1.1869 1.7677 1.7732 2.3637 2.3678 2.5634 2.5708 3.0600 3.0725 3.2334 3.2421 3.6921 3.7002 3.8330 3.8508 4.0285 4.0402 4.3619 4.3717 4.6735 4.6787 4.7809 4.8028 4.9756 4.9867 5.1448 5.1487 5.2725 5.2788 7.5123 7.5203 11.1953 11.2731 11.4100 11.4308 11.7479 11.7918 12.4697 12.6485 k = 0.6036 0.3217-0.3177 ( 12751 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0652 -13.0615 -11.3292 -11.3152 -11.2364 -11.2267 -11.0278 -11.0106 -10.6129 -10.6032 -10.4329 -10.4317 -4.0855 -4.0819 0.4043 0.4990 0.7340 0.8351 1.1479 1.1688 1.7946 1.7999 2.3812 2.3849 2.6151 2.6227 3.0396 3.0525 3.2073 3.2161 3.7051 3.7136 3.8395 3.8569 4.0492 4.0609 4.3382 4.3489 4.6807 4.6853 4.7823 4.8041 4.9723 4.9831 5.1393 5.1430 5.2859 5.2915 7.5464 7.5551 11.1680 11.2479 11.4029 11.4220 11.7498 11.7948 12.4416 12.6209 k = 0.6130 0.3267-0.3046 ( 12741 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0603 -13.0563 -11.3443 -11.3308 -11.2454 -11.2355 -11.0348 -11.0176 -10.6016 -10.5918 -10.4184 -10.4170 -4.0632 -4.0593 0.3551 0.4453 0.7028 0.7987 1.1303 1.1513 1.8232 1.8286 2.3957 2.3992 2.6660 2.6738 3.0171 3.0304 3.1839 3.1926 3.7197 3.7288 3.8457 3.8629 4.0698 4.0815 4.3133 4.3250 4.6867 4.6911 4.7836 4.8048 4.9686 4.9791 5.1362 5.1408 5.2993 5.3045 7.5823 7.5916 11.1407 11.2225 11.3950 11.4131 11.7494 11.7953 12.4140 12.5907 k = 0.6224 0.3318-0.2915 ( 12739 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0553 -13.0511 -11.3602 -11.3474 -11.2543 -11.2445 -11.0401 -11.0230 -10.5911 -10.5811 -10.4037 -10.4020 -4.0398 -4.0357 0.3060 0.3915 0.6706 0.7611 1.1136 1.1344 1.8536 1.8591 2.4078 2.4112 2.7135 2.7218 2.9930 3.0064 3.1645 3.1728 3.7357 3.7456 3.8516 3.8683 4.0899 4.1017 4.2879 4.3009 4.6910 4.6962 4.7854 4.8056 4.9648 4.9755 5.1353 5.1414 5.3126 5.3177 7.6198 7.6297 11.1136 11.1972 11.3863 11.4040 11.7465 11.7930 12.3876 12.5587 k = 0.6318 0.3368-0.2785 ( 12734 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0504 -13.0460 -11.3765 -11.3646 -11.2632 -11.2536 -11.0439 -11.0271 -10.5814 -10.5712 -10.3890 -10.3870 -4.0157 -4.0114 0.2575 0.3383 0.6377 0.7226 1.0977 1.1181 1.8856 1.8912 2.4178 2.4210 2.7549 2.7638 2.9680 2.9815 3.1505 3.1582 3.7523 3.7632 3.8569 3.8732 4.1089 4.1211 4.2636 4.2779 4.6935 4.7002 4.7882 4.8071 4.9614 4.9727 5.1364 5.1439 5.3257 5.3308 7.6585 7.6690 11.0871 11.1721 11.3770 11.3950 11.7408 11.7878 12.3627 12.5257 k = 0.6318 0.3368-0.2785 ( 12734 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0504 -13.0460 -11.3765 -11.3646 -11.2632 -11.2536 -11.0439 -11.0271 -10.5814 -10.5712 -10.3890 -10.3870 -4.0157 -4.0114 0.2575 0.3383 0.6377 0.7226 1.0977 1.1181 1.8856 1.8912 2.4178 2.4210 2.7549 2.7638 2.9680 2.9815 3.1505 3.1582 3.7523 3.7632 3.8569 3.8732 4.1089 4.1211 4.2636 4.2779 4.6935 4.7002 4.7882 4.8071 4.9614 4.9727 5.1364 5.1439 5.3257 5.3308 7.6585 7.6690 11.0871 11.1721 11.3770 11.3950 11.7408 11.7878 12.3627 12.5257 k = 0.6271 0.3343-0.2620 ( 12737 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0483 -13.0436 -11.3820 -11.3694 -11.2698 -11.2602 -11.0508 -11.0335 -10.5751 -10.5647 -10.3795 -10.3777 -4.0006 -3.9961 0.2402 0.3166 0.6205 0.7004 1.1081 1.1270 1.9043 1.9096 2.4031 2.4062 2.7579 2.7663 2.9490 2.9623 3.1475 3.1548 3.7694 3.7788 3.8709 3.8849 4.1020 4.1167 4.2600 4.2767 4.6724 4.6824 4.7942 4.8127 4.9564 4.9687 5.1407 5.1487 5.3305 5.3355 7.6823 7.6943 11.0834 11.1665 11.3764 11.3981 11.7444 11.7924 12.3578 12.5219 k = 0.6224 0.3318-0.2455 ( 12737 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0463 -13.0412 -11.3883 -11.3749 -11.2765 -11.2669 -11.0586 -11.0409 -10.5667 -10.5561 -10.3701 -10.3683 -3.9839 -3.9792 0.2223 0.2945 0.6026 0.6777 1.1097 1.1273 1.9223 1.9272 2.3963 2.3993 2.7548 2.7624 2.9314 2.9445 3.1523 3.1589 3.7709 3.7794 3.8883 3.9006 4.0970 4.1136 4.2618 4.2801 4.6506 4.6638 4.8014 4.8193 4.9522 4.9655 5.1464 5.1546 5.3362 5.3411 7.7094 7.7230 11.0796 11.1607 11.3738 11.3999 11.7465 11.7957 12.3553 12.5199 k = 0.6177 0.3293-0.2290 ( 12743 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0443 -13.0389 -11.3952 -11.3810 -11.2830 -11.2738 -11.0672 -11.0496 -10.5560 -10.5455 -10.3606 -10.3590 -3.9655 -3.9607 0.2041 0.2720 0.5842 0.6547 1.1022 1.1186 1.9398 1.9443 2.3973 2.4003 2.7470 2.7537 2.9150 2.9277 3.1641 3.1700 3.7597 3.7680 3.9065 3.9183 4.0938 4.1109 4.2681 4.2866 4.6300 4.6462 4.8092 4.8267 4.9488 4.9627 5.1531 5.1615 5.3428 5.3477 7.7398 7.7550 11.0757 11.1546 11.3692 11.4001 11.7473 11.7975 12.3550 12.5197 k = 0.6130 0.3267-0.2125 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0424 -13.0367 -11.4027 -11.3877 -11.2894 -11.2806 -11.0769 -11.0595 -10.5434 -10.5330 -10.3513 -10.3497 -3.9457 -3.9406 0.1854 0.2492 0.5656 0.6314 1.0857 1.1012 1.9572 1.9612 2.4049 2.4081 2.7363 2.7419 2.9000 2.9124 3.1812 3.1864 3.7408 3.7487 3.9218 3.9334 4.0930 4.1091 4.2765 4.2935 4.6130 4.6318 4.8175 4.8346 4.9456 4.9602 5.1607 5.1692 5.3503 5.3550 7.7731 7.7900 11.0716 11.1484 11.3625 11.3986 11.7469 11.7981 12.3571 12.5214 k = 0.6083 0.3242-0.1960 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0405 -13.0345 -11.4107 -11.3949 -11.2955 -11.2872 -11.0877 -11.0706 -10.5290 -10.5188 -10.3420 -10.3405 -3.9243 -3.9191 0.1663 0.2259 0.5467 0.6080 1.0608 1.0757 1.9749 1.9785 2.4172 2.4208 2.7242 2.7288 2.8870 2.8989 3.2016 3.2063 3.7176 3.7249 3.9321 3.9432 4.0954 4.1094 4.2837 4.2977 4.6020 4.6230 4.8258 4.8428 4.9426 4.9576 5.1692 5.1777 5.3586 5.3632 7.8093 7.8278 11.0675 11.1420 11.3537 11.3952 11.7454 11.7975 12.3612 12.5248 k = 0.6036 0.3217-0.1795 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0386 -13.0324 -11.4190 -11.4024 -11.3013 -11.2935 -11.0995 -11.0829 -10.5131 -10.5032 -10.3328 -10.3314 -3.9016 -3.8962 0.1468 0.2024 0.5277 0.5844 1.0286 1.0431 1.9935 1.9968 2.4317 2.4359 2.7123 2.7159 2.8768 2.8884 3.2235 3.2279 3.6923 3.6990 3.9363 3.9471 4.1008 4.1127 4.2867 4.2964 4.5989 4.6218 4.8338 4.8508 4.9394 4.9548 5.1788 5.1871 5.3676 5.3721 7.8481 7.8680 11.0632 11.1355 11.3429 11.3898 11.7431 11.7957 12.3671 12.5296 k = 0.5988 0.3192-0.1630 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0366 -13.0303 -11.4274 -11.4101 -11.3067 -11.2994 -11.1123 -11.0962 -10.4959 -10.4865 -10.3237 -10.3224 -3.8776 -3.8721 0.1270 0.1786 0.5084 0.5605 0.9906 1.0049 2.0134 2.0164 2.4461 2.4511 2.7011 2.7039 2.8705 2.8819 3.2451 3.2492 3.6665 3.6724 3.9353 3.9463 4.1078 4.1189 4.2840 4.2892 4.6044 4.6286 4.8413 4.8585 4.9359 4.9517 5.1895 5.1977 5.3773 5.3816 7.8891 7.9105 11.0588 11.1287 11.3304 11.3825 11.7399 11.7928 12.3746 12.5357 k = 0.5941 0.3167-0.1465 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0347 -13.0282 -11.4359 -11.4180 -11.3117 -11.3050 -11.1258 -11.1104 -10.4779 -10.4688 -10.3148 -10.3136 -3.8524 -3.8468 0.1070 0.1546 0.4886 0.5360 0.9483 0.9626 2.0347 2.0376 2.4582 2.4641 2.6909 2.6932 2.8691 2.8805 3.2647 3.2685 3.6413 3.6467 3.9311 3.9424 4.1145 4.1262 4.2749 4.2784 4.6174 4.6427 4.8478 4.8654 4.9321 4.9482 5.2017 5.2097 5.3875 5.3917 7.9321 7.9550 11.0543 11.1217 11.3164 11.3733 11.7360 11.7889 12.3831 12.5427 k = 0.5894 0.3142-0.1300 ( 12755 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0328 -13.0262 -11.4443 -11.4260 -11.3164 -11.3101 -11.1401 -11.1252 -10.4591 -10.4505 -10.3061 -10.3050 -3.8262 -3.8205 0.0866 0.1305 0.4679 0.5107 0.9036 0.9178 2.0575 2.0604 2.4667 2.4734 2.6816 2.6837 2.8733 2.8849 3.2807 3.2844 3.6179 3.6232 3.9255 3.9374 4.1198 4.1327 4.2606 4.2674 4.6361 4.6620 4.8531 4.8712 4.9278 4.9443 5.2155 5.2232 5.3983 5.4023 7.9768 8.0010 11.0495 11.1144 11.3013 11.3624 11.7312 11.7840 12.3925 12.5503 k = 0.5847 0.3117-0.1136 ( 12753 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0308 -13.0242 -11.4526 -11.4338 -11.3207 -11.3148 -11.1548 -11.1406 -10.4400 -10.4318 -10.2976 -10.2966 -3.7991 -3.7934 0.0661 0.1063 0.4459 0.4840 0.8580 0.8723 2.0816 2.0846 2.4713 2.4785 2.6724 2.6749 2.8830 2.8953 3.2914 3.2952 3.5970 3.6029 3.9202 3.9328 4.1224 4.1362 4.2465 4.2564 4.6582 4.6844 4.8570 4.8758 4.9229 4.9398 5.2311 5.2385 5.4095 5.4132 8.0228 8.0482 11.0444 11.1070 11.2856 11.3500 11.7255 11.7780 12.4022 12.5582 k = 0.5800 0.3092-0.0971 ( 12765 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0289 -13.0222 -11.4606 -11.4415 -11.3247 -11.3191 -11.1699 -11.1563 -10.4208 -10.4130 -10.2894 -10.2885 -3.7713 -3.7656 0.0455 0.0822 0.4220 0.4554 0.8133 0.8277 2.1070 2.1102 2.4724 2.4800 2.6630 2.6664 2.8974 2.9105 3.2954 3.2997 3.5794 3.5863 3.9166 3.9298 4.1218 4.1352 4.2357 4.2472 4.6818 4.7081 4.8594 4.8788 4.9175 4.9348 5.2487 5.2556 5.4210 5.4245 8.0697 8.0963 11.0390 11.0992 11.2697 11.3363 11.7189 11.7709 12.4120 12.5660 k = 0.5753 0.3067-0.0806 ( 12769 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0269 -13.0203 -11.4682 -11.4489 -11.3284 -11.3231 -11.1852 -11.1722 -10.4016 -10.3943 -10.2814 -10.2806 -3.7429 -3.7372 0.0249 0.0582 0.3957 0.4244 0.7711 0.7855 2.1335 2.1368 2.4709 2.4786 2.6535 2.6577 2.9152 2.9292 3.2923 3.2975 3.5647 3.5730 3.9156 3.9295 4.1182 4.1300 4.2294 4.2409 4.7055 4.7317 4.8601 4.8802 4.9116 4.9292 5.2681 5.2746 5.4327 5.4361 8.1174 8.1449 11.0331 11.0913 11.2542 11.3216 11.7113 11.7625 12.4216 12.5733 k = 0.5706 0.3042-0.0641 ( 12771 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0249 -13.0184 -11.4754 -11.4560 -11.3317 -11.3267 -11.2005 -11.1881 -10.3827 -10.3759 -10.2737 -10.2730 -3.7142 -3.7086 0.0042 0.0345 0.3664 0.3905 0.7328 0.7471 2.1608 2.1644 2.4678 2.4756 2.6437 2.6488 2.9346 2.9495 3.2828 3.2889 3.5520 3.5616 3.9184 3.9329 4.1129 4.1225 4.2270 4.2375 4.7284 4.7542 4.8594 4.8800 4.9050 4.9230 5.2893 5.2953 5.4446 5.4478 8.1652 8.1935 11.0267 11.0831 11.2396 11.3064 11.7025 11.7528 12.4306 12.5799 k = 0.5659 0.3017-0.0476 ( 12774 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0230 -13.0166 -11.4821 -11.4627 -11.3349 -11.3300 -11.2156 -11.2039 -10.3644 -10.3579 -10.2663 -10.2656 -3.6854 -3.6798 -0.0163 0.0110 0.3341 0.3538 0.6991 0.7132 2.1887 2.1926 2.4640 2.4717 2.6340 2.6398 2.9543 2.9700 3.2682 3.2752 3.5395 3.5501 3.9255 3.9404 4.1073 4.1153 4.2267 4.2362 4.7496 4.7751 4.8573 4.8782 4.8980 4.9161 5.3121 5.3175 5.4566 5.4596 8.2129 8.2418 11.0197 11.0747 11.2263 11.2909 11.6925 11.7417 12.4389 12.5854 k = 0.5612 0.2991-0.0311 ( 12774 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0210 -13.0148 -11.4882 -11.4690 -11.3378 -11.3330 -11.2305 -11.2194 -10.3467 -10.3407 -10.2593 -10.2586 -3.6567 -3.6513 -0.0367 -0.0121 0.2990 0.3148 0.6705 0.6844 2.2170 2.2212 2.4599 2.4676 2.6244 2.6308 2.9730 2.9894 3.2503 3.2581 3.5253 3.5366 3.9372 3.9523 4.1031 4.1105 4.2272 4.2360 4.7687 4.7936 4.8540 4.8749 4.8906 4.9086 5.3361 5.3410 5.4686 5.4713 8.2600 8.2893 11.0121 11.0663 11.2147 11.2755 11.6812 11.7292 12.4465 12.5895 k = 0.5565 0.2966-0.0146 ( 12774 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0191 -13.0132 -11.4937 -11.4748 -11.3405 -11.3357 -11.2448 -11.2345 -10.3299 -10.3242 -10.2525 -10.2519 -3.6284 -3.6231 -0.0569 -0.0349 0.2617 0.2742 0.6470 0.6603 2.2454 2.2499 2.4561 2.4638 2.6150 2.6219 2.9901 3.0071 3.2306 3.2391 3.5083 3.5201 3.9535 3.9683 4.1016 4.1087 4.2278 4.2363 4.7851 4.8094 4.8499 4.8702 4.8832 4.9006 5.3608 5.3653 5.4804 5.4829 8.3062 8.3355 11.0039 11.0579 11.2049 11.2605 11.6687 11.7152 12.4531 12.5920 k = 0.5518 0.2941 0.0019 ( 12771 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0173 -13.0116 -11.4986 -11.4801 -11.3431 -11.3383 -11.2586 -11.2491 -10.3140 -10.3088 -10.2461 -10.2455 -3.6007 -3.5956 -0.0769 -0.0572 0.2236 0.2331 0.6280 0.6406 2.2736 2.2785 2.4530 2.4607 2.6059 2.6131 3.0049 3.0226 3.2103 3.2197 3.4879 3.4999 3.9738 3.9878 4.1032 4.1103 4.2282 4.2366 4.7983 4.8214 4.8459 4.8642 4.8762 4.8925 5.3860 5.3899 5.4920 5.4943 8.3510 8.3801 10.9953 11.0496 11.1970 11.2463 11.6550 11.6997 12.4590 12.5927 k = 0.5471 0.2916 0.0184 ( 12763 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0155 -13.0102 -11.5028 -11.4849 -11.3456 -11.3406 -11.2715 -11.2629 -10.2994 -10.2945 -10.2399 -10.2394 -3.5739 -3.5691 -0.0966 -0.0791 0.1856 0.1928 0.6129 0.6246 2.3013 2.3066 2.4506 2.4584 2.5971 2.6046 3.0175 3.0358 3.1906 3.2007 3.4644 3.4764 3.9972 4.0099 4.1081 4.1150 4.2281 4.2367 4.8074 4.8270 4.8442 4.8574 4.8705 4.8850 5.4109 5.4144 5.5032 5.5053 8.3939 8.4225 10.9867 11.0415 11.1910 11.2332 11.6403 11.6830 12.4643 12.5914 k = 0.5424 0.2891 0.0349 ( 12767 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0138 -13.0088 -11.5063 -11.4892 -11.3481 -11.3429 -11.2834 -11.2759 -10.2860 -10.2816 -10.2341 -10.2335 -3.5483 -3.5439 -0.1159 -0.1006 0.1491 0.1545 0.6010 0.6116 2.3281 2.3339 2.4492 2.4570 2.5886 2.5963 3.0281 3.0468 3.1723 3.1830 3.4381 3.4500 4.0228 4.0338 4.1159 4.1224 4.2276 4.2365 4.8111 4.8245 4.8451 4.8503 4.8677 4.8796 5.4352 5.4382 5.5139 5.5157 8.4347 8.4622 10.9785 11.0336 11.1868 11.2214 11.6248 11.6652 12.4690 12.5881 k = 0.5377 0.2866 0.0513 ( 12768 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0122 -13.0076 -11.5091 -11.4930 -11.3506 -11.3451 -11.2942 -11.2878 -10.2740 -10.2701 -10.2285 -10.2280 -3.5243 -3.5202 -0.1347 -0.1215 0.1151 0.1189 0.5917 0.6013 2.3537 2.3599 2.4488 2.4566 2.5804 2.5883 3.0368 3.0559 3.1559 3.1671 3.4098 3.4216 4.0496 4.0584 4.1258 4.1320 4.2268 4.2359 4.8092 4.8183 4.8421 4.8437 4.8686 4.8780 5.4582 5.4608 5.5240 5.5256 8.4728 8.4989 10.9710 11.0257 11.1840 11.2112 11.6088 11.6467 12.4733 12.5830 k = 0.5329 0.2841 0.0678 ( 12775 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0106 -13.0066 -11.5113 -11.4964 -11.3532 -11.3473 -11.3036 -11.2985 -10.2636 -10.2601 -10.2231 -10.2227 -3.5022 -3.4984 -0.1529 -0.1416 0.0844 0.0870 0.5846 0.5930 2.3775 2.3843 2.4494 2.4571 2.5726 2.5805 3.0443 3.0635 3.1420 3.1532 3.3803 3.3918 4.0763 4.0829 4.1371 4.1435 4.2255 4.2349 4.8035 4.8104 4.8349 4.8373 4.8717 4.8799 5.4796 5.4818 5.5335 5.5349 8.5079 8.5322 10.9648 11.0179 11.1826 11.2027 11.5928 11.6278 12.4775 12.5763 k = 0.5282 0.2816 0.0843 ( 12783 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0093 -13.0057 -11.5128 -11.4993 -11.3558 -11.3497 -11.3115 -11.3078 -10.2548 -10.2518 -10.2181 -10.2177 -3.4822 -3.4789 -0.1702 -0.1606 0.0576 0.0593 0.5792 0.5864 2.3992 2.4064 2.4510 2.4585 2.5651 2.5730 3.0512 3.0701 3.1309 3.1416 3.3504 3.3615 4.1016 4.1067 4.1489 4.1561 4.2240 4.2335 4.7961 4.8015 4.8272 4.8295 4.8758 4.8831 5.4987 5.5005 5.5424 5.5434 8.5396 8.5615 10.9600 11.0101 11.1820 11.1960 11.5774 11.6091 12.4818 12.5684 k = 0.5235 0.2791 0.1008 ( 12783 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0080 -13.0050 -11.5137 -11.5020 -11.3585 -11.3523 -11.3179 -11.3156 -10.2475 -10.2451 -10.2133 -10.2131 -3.4646 -3.4618 -0.1860 -0.1782 0.0350 0.0360 0.5752 0.5812 2.4183 2.4260 2.4534 2.4606 2.5581 2.5658 3.0581 3.0761 3.1228 3.1323 3.3209 3.3316 4.1240 4.1298 4.1607 4.1691 4.2222 4.2316 4.7884 4.7926 4.8198 4.8214 4.8798 4.8863 5.5150 5.5165 5.5505 5.5513 8.5675 8.5866 10.9570 11.0024 11.1822 11.1910 11.5631 11.5911 12.4862 12.5596 k = 0.5188 0.2766 0.1173 ( 12772 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0069 -13.0044 -11.5141 -11.5043 -11.3609 -11.3551 -11.3228 -11.3215 -10.2418 -10.2399 -10.2091 -10.2090 -3.4498 -3.4475 -0.1999 -0.1937 0.0167 0.0172 0.5723 0.5771 2.4343 2.4423 2.4566 2.4632 2.5519 2.5590 3.0651 3.0818 3.1178 3.1254 3.2930 3.3029 4.1427 4.1511 4.1719 4.1815 4.2203 4.2292 4.7809 4.7842 4.8130 4.8139 4.8834 4.8888 5.5283 5.5294 5.5580 5.5585 8.5912 8.6071 10.9557 10.9947 11.1827 11.1876 11.5508 11.5744 12.4910 12.5505 k = 0.5141 0.2741 0.1338 ( 12758 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0059 -13.0041 -11.5140 -11.5064 -11.3630 -11.3580 -11.3264 -11.3258 -10.2375 -10.2361 -10.2056 -10.2055 -3.4379 -3.4361 -0.2112 -0.2067 0.0026 0.0028 0.5704 0.5739 2.4470 2.4548 2.4605 2.4660 2.5468 2.5530 3.0723 3.0865 3.1160 3.1211 3.2678 3.2766 4.1582 4.1689 4.1825 4.1923 4.2184 4.2261 4.7745 4.7769 4.8071 4.8075 4.8865 4.8906 5.5382 5.5390 5.5647 5.5649 8.6106 8.6228 10.9563 10.9871 11.1834 11.1855 11.5412 11.5597 12.4963 12.5413 k = 0.5094 0.2715 0.1503 ( 12756 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0052 -13.0039 -11.5134 -11.5082 -11.3643 -11.3607 -11.3288 -11.3286 -10.2345 -10.2336 -10.2029 -10.2029 -3.4292 -3.4280 -0.2196 -0.2166 -0.0073 -0.0073 0.5692 0.5716 2.4560 2.4618 2.4658 2.4685 2.5432 2.5479 3.0790 3.0893 3.1173 3.1195 3.2472 3.2541 4.1703 4.1810 4.1926 4.2008 4.2168 4.2222 4.7695 4.7712 4.8026 4.8028 4.8889 4.8917 5.5449 5.5454 5.5700 5.5701 8.6252 8.6336 10.9585 10.9799 11.1839 11.1845 11.5348 11.5476 12.5022 12.5323 k = 0.5047 0.2690 0.1668 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0046 -13.0039 -11.5125 -11.5099 -11.3648 -11.3629 -11.3302 -11.3302 -10.2326 -10.2322 -10.2013 -10.2013 -3.4237 -3.4231 -0.2245 -0.2230 -0.0133 -0.0132 0.5689 0.5700 2.4616 2.4644 2.4703 2.4707 2.5415 2.5441 3.0843 3.0896 3.1200 3.1203 3.2337 3.2377 4.1793 4.1859 4.2021 4.2071 4.2152 4.2175 4.7665 4.7674 4.7998 4.7998 4.8906 4.8920 5.5487 5.5490 5.5735 5.5735 8.6349 8.6392 10.9622 10.9732 11.1841 11.1842 11.5321 11.5387 12.5087 12.5238 k = 0.5000 0.2665 0.1833 ( 12778 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0042 -13.0042 -11.5113 -11.5113 -11.3643 -11.3643 -11.3307 -11.3307 -10.2319 -10.2319 -10.2007 -10.2007 -3.4217 -3.4217 -0.2257 -0.2257 -0.0152 -0.0152 0.5691 0.5691 2.4643 2.4643 2.4717 2.4717 2.5418 2.5418 3.0878 3.0878 3.1213 3.1213 3.2302 3.2302 4.1848 4.1848 4.2090 4.2090 4.2137 4.2137 4.7658 4.7658 4.7988 4.7988 4.8917 4.8917 5.5500 5.5500 5.5747 5.5747 8.6396 8.6396 10.9672 10.9672 11.1842 11.1842 11.5335 11.5335 12.5159 12.5159 k = 0.5000-0.3357-0.2309 ( 12764 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9804 -12.9804 -11.6309 -11.6309 -11.3387 -11.3387 -11.1276 -11.1276 -10.3255 -10.3255 -10.2335 -10.2335 -3.5787 -3.5787 -0.3836 -0.3836 0.0411 0.0411 0.3561 0.3561 2.4188 2.4188 2.5267 2.5267 2.9376 2.9376 2.9958 2.9958 3.0561 3.0561 3.6368 3.6368 4.1141 4.1141 4.2367 4.2367 4.6048 4.6048 4.8313 4.8313 5.0233 5.0233 5.2694 5.2694 5.3076 5.3076 5.4310 5.4310 8.3922 8.3922 10.5070 10.5070 10.8273 10.8273 11.2976 11.2976 12.2176 12.2176 k = 0.5110-0.3246-0.2232 ( 12766 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9807 -12.9805 -11.6304 -11.6302 -11.3386 -11.3382 -11.1276 -11.1270 -10.3262 -10.3259 -10.2342 -10.2340 -3.5804 -3.5801 -0.3848 -0.3788 0.0405 0.0466 0.3558 0.3583 2.4108 2.4158 2.5290 2.5345 2.9333 2.9361 2.9914 2.9939 3.0614 3.0660 3.6366 3.6371 4.1076 4.1144 4.2321 4.2382 4.6041 4.6061 4.8310 4.8325 5.0219 5.0229 5.2678 5.2684 5.3053 5.3071 5.4305 5.4315 8.3885 8.3908 10.4998 10.5196 10.8210 10.8366 11.2954 11.3026 12.2153 12.2202 k = 0.5220-0.3135-0.2156 ( 12767 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9814 -12.9810 -11.6287 -11.6285 -11.3380 -11.3374 -11.1269 -11.1257 -10.3278 -10.3272 -10.2361 -10.2356 -3.5849 -3.5844 -0.3822 -0.3704 0.0447 0.0568 0.3574 0.3625 2.3952 2.4031 2.5402 2.5493 2.9237 2.9289 2.9861 2.9887 3.0788 3.0857 3.6366 3.6377 4.0955 4.1085 4.2247 4.2364 4.6039 4.6079 4.8317 4.8347 5.0189 5.0208 5.2635 5.2649 5.3005 5.3044 5.4301 5.4320 8.3799 8.3845 10.4982 10.5374 10.8179 10.8488 11.2959 11.3102 12.2134 12.2232 k = 0.5329-0.3024-0.2080 ( 12771 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9824 -12.9818 -11.6260 -11.6256 -11.3370 -11.3361 -11.1256 -11.1237 -10.3305 -10.3296 -10.2390 -10.2384 -3.5924 -3.5915 -0.3760 -0.3585 0.0537 0.0717 0.3610 0.3686 2.3755 2.3847 2.5564 2.5673 2.9103 2.9171 2.9831 2.9849 3.1023 3.1103 3.6364 3.6379 4.0787 4.0966 4.2151 4.2312 4.6041 4.6099 4.8330 4.8376 5.0141 5.0169 5.2561 5.2587 5.2934 5.3000 5.4296 5.4324 8.3666 8.3732 10.5020 10.5599 10.8183 10.8637 11.2993 11.3204 12.2119 12.2265 k = 0.5439-0.2913-0.2003 ( 12760 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9838 -12.9830 -11.6221 -11.6216 -11.3355 -11.3343 -11.1236 -11.1212 -10.3344 -10.3331 -10.2430 -10.2421 -3.6025 -3.6014 -0.3664 -0.3433 0.0676 0.0912 0.3666 0.3766 2.3535 2.3632 2.5747 2.5865 2.8953 2.9028 2.9823 2.9834 3.1291 3.1379 3.6353 3.6374 4.0582 4.0799 4.2035 4.2227 4.6043 4.6117 4.8348 4.8409 5.0076 5.0112 5.2454 5.2497 5.2849 5.2945 5.4290 5.4327 8.3490 8.3572 10.5111 10.5867 10.8223 10.8811 11.3054 11.3331 12.2108 12.2302 k = 0.5549-0.2802-0.1927 ( 12755 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9855 -12.9845 -11.6171 -11.6165 -11.3336 -11.3322 -11.1210 -11.1180 -10.3394 -10.3378 -10.2479 -10.2468 -3.6153 -3.6139 -0.3535 -0.3251 0.0861 0.1152 0.3742 0.3866 2.3304 2.3401 2.5937 2.6058 2.8799 2.8877 2.9826 2.9842 3.1581 3.1674 3.6324 3.6352 4.0355 4.0597 4.1900 4.2113 4.6042 4.6130 4.8365 4.8442 4.9995 5.0036 5.2313 5.2374 5.2761 5.2885 5.4282 5.4327 8.3272 8.3368 10.5249 10.6168 10.8303 10.9009 11.3142 11.3481 12.2101 12.2342 k = 0.5659-0.2691-0.1850 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9875 -12.9863 -11.6111 -11.6104 -11.3314 -11.3297 -11.1178 -11.1142 -10.3456 -10.3437 -10.2536 -10.2521 -3.6303 -3.6287 -0.3374 -0.3042 0.1091 0.1435 0.3840 0.3987 2.3065 2.3161 2.6125 2.6245 2.8651 2.8729 2.9841 2.9865 3.1886 3.1985 3.6266 3.6301 4.0122 4.0378 4.1751 4.1975 4.6031 4.6132 4.8378 4.8471 4.9897 4.9942 5.2142 5.2217 5.2675 5.2821 5.4271 5.4322 8.3017 8.3122 10.5432 10.6494 10.8426 10.9227 11.3255 11.3652 12.2099 12.2385 k = 0.5769-0.2580-0.1774 ( 12754 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9898 -12.9884 -11.6039 -11.6033 -11.3287 -11.3269 -11.1139 -11.1098 -10.3533 -10.3509 -10.2598 -10.2581 -3.6475 -3.6456 -0.3186 -0.2808 0.1365 0.1758 0.3961 0.4129 2.2822 2.2916 2.6306 2.6422 2.8515 2.8591 2.9865 2.9899 3.2202 3.2307 3.6166 3.6208 3.9899 4.0161 4.1591 4.1820 4.6006 4.6117 4.8383 4.8491 4.9785 4.9834 5.1946 5.2029 5.2595 5.2755 5.4257 5.4314 8.2729 8.2839 10.5653 10.6834 10.8597 10.9466 11.3394 11.3844 12.2102 12.2432 k = 0.5879-0.2469-0.1698 ( 12761 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9924 -12.9908 -11.5958 -11.5951 -11.3257 -11.3238 -11.1094 -11.1048 -10.3623 -10.3596 -10.2665 -10.2645 -3.6666 -3.6644 -0.2972 -0.2552 0.1676 0.2117 0.4107 0.4295 2.2576 2.2668 2.6473 2.6581 2.8394 2.8466 2.9898 2.9943 3.2524 3.2635 3.6011 3.6060 3.9704 3.9963 4.1426 4.1654 4.5960 4.6081 4.8376 4.8499 4.9664 4.9716 5.1730 5.1818 5.2520 5.2687 5.4240 5.4300 8.2413 8.2524 10.5907 10.7177 10.8819 10.9723 11.3555 11.4053 12.2111 12.2483 k = 0.5988-0.2358-0.1621 ( 12749 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9953 -12.9935 -11.5867 -11.5860 -11.3225 -11.3204 -11.1044 -11.0993 -10.3727 -10.3696 -10.2734 -10.2711 -3.6872 -3.6848 -0.2733 -0.2276 0.2018 0.2507 0.4282 0.4488 2.2329 2.2418 2.6623 2.6719 2.8292 2.8360 2.9938 2.9993 3.2848 3.2964 3.5794 3.5852 3.9548 3.9797 4.1262 4.1486 4.5886 4.6016 4.8352 4.8490 4.9540 4.9596 5.1499 5.1590 5.2446 5.2616 5.4220 5.4282 8.2071 8.2181 10.6186 10.7511 10.9095 10.9996 11.3738 11.4279 12.2125 12.2539 k = 0.6098-0.2247-0.1545 ( 12743 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -12.9983 -12.9963 -11.5766 -11.5760 -11.3190 -11.3169 -11.0988 -11.0933 -10.3846 -10.3810 -10.2805 -10.2780 -3.7092 -3.7065 -0.2473 -0.1983 0.2382 0.2918 0.4491 0.4713 2.2081 2.2167 2.6747 2.6828 2.8216 2.8278 2.9982 3.0046 3.3165 3.3285 3.5520 3.5588 3.9433 3.9667 4.1109 4.1324 4.5780 4.5917 4.8310 4.8460 4.9421 4.9482 5.1258 5.1350 5.2372 5.2542 5.4196 5.4259 8.1710 8.1815 10.6486 10.7832 10.9422 11.0283 11.3941 11.4519 12.2146 12.2600 k = 0.6208-0.2136-0.1469 ( 12747 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0016 -12.9994 -11.5656 -11.5650 -11.3154 -11.3131 -11.0929 -11.0869 -10.3977 -10.3938 -10.2877 -10.2850 -3.7321 -3.7293 -0.2194 -0.1672 0.2757 0.3339 0.4742 0.4978 2.1833 2.1917 2.6836 2.6900 2.8169 2.8228 3.0027 3.0099 3.3457 3.3577 3.5210 3.5292 3.9353 3.9568 4.0978 4.1179 4.5636 4.5777 4.8249 4.8407 4.9316 4.9381 5.1011 5.1105 5.2297 5.2464 5.4168 5.4231 8.1331 8.1431 10.6801 10.8138 10.9792 11.0581 11.4161 11.4771 12.2174 12.2668 k = 0.6318-0.2025-0.1392 ( 12743 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0050 -13.0026 -11.5539 -11.5531 -11.3116 -11.3092 -11.0866 -11.0801 -10.4121 -10.4077 -10.2949 -10.2921 -3.7558 -3.7528 -0.1896 -0.1347 0.3129 0.3753 0.5046 0.5292 2.1586 2.1668 2.6882 2.6929 2.8155 2.8217 3.0066 3.0144 3.3672 3.3786 3.4926 3.5035 3.9291 3.9491 4.0879 4.1063 4.5451 4.5590 4.8173 4.8331 4.9228 4.9298 5.0762 5.0860 5.2218 5.2381 5.4136 5.4198 8.0941 8.1033 10.7124 10.8433 11.0193 11.0888 11.4397 11.5032 12.2211 12.2744 k = 0.6428-0.1914-0.1316 ( 12746 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0086 -13.0060 -11.5414 -11.5403 -11.3078 -11.3051 -11.0801 -11.0731 -10.4274 -10.4226 -10.3022 -10.2992 -3.7800 -3.7768 -0.1582 -0.1007 0.3485 0.4144 0.5412 0.5664 2.1341 2.1421 2.6875 2.6915 2.8175 2.8245 3.0093 3.0176 3.3681 3.3785 3.4808 3.4962 3.9233 3.9421 4.0824 4.0988 4.5221 4.5356 4.8087 4.8242 4.9152 4.9229 5.0517 5.0620 5.2135 5.2294 5.4099 5.4161 8.0542 8.0627 10.7454 10.8722 11.0611 11.1200 11.4648 11.5302 12.2255 12.2832 k = 0.6538-0.1803-0.1240 ( 12749 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0122 -13.0094 -11.5283 -11.5267 -11.3039 -11.3009 -11.0735 -11.0660 -10.4435 -10.4383 -10.3095 -10.3065 -3.8044 -3.8010 -0.1253 -0.0654 0.3818 0.4500 0.5844 0.6096 2.1097 2.1175 2.6815 2.6857 2.8228 2.8306 3.0101 3.0184 3.3431 3.3528 3.4941 3.5121 3.9166 3.9349 4.0818 4.0963 4.4948 4.5074 4.8000 4.8147 4.9080 4.9166 5.0281 5.0394 5.2047 5.2202 5.4056 5.4117 8.0138 8.0216 10.7785 10.9007 11.1032 11.1512 11.4912 11.5576 12.2310 12.2933 k = 0.6647-0.1692-0.1163 ( 12743 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0160 -13.0130 -11.5145 -11.5124 -11.2999 -11.2965 -11.0671 -11.0589 -10.4602 -10.4544 -10.3169 -10.3138 -3.8288 -3.8253 -0.0910 -0.0288 0.4125 0.4823 0.6334 0.6584 2.0856 2.0932 2.6709 2.6755 2.8306 2.8390 3.0079 3.0162 3.3066 3.3155 3.5201 3.5390 3.9090 3.9270 4.0861 4.0988 4.4636 4.4751 4.7917 4.8056 4.8997 4.9095 5.0067 5.0191 5.1956 5.2105 5.4008 5.4069 7.9732 7.9805 10.8115 10.9292 11.1445 11.1820 11.5186 11.5852 12.2374 12.3051 k = 0.6757-0.1581-0.1087 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0198 -13.0166 -11.5001 -11.4975 -11.2959 -11.2920 -11.0609 -11.0520 -10.4770 -10.4707 -10.3244 -10.3213 -3.8529 -3.8493 -0.0555 0.0090 0.4411 0.5121 0.6869 0.7115 2.0618 2.0692 2.6559 2.6608 2.8398 2.8487 3.0021 3.0100 3.2687 3.2765 3.5502 3.5694 3.9007 3.9184 4.0950 4.1061 4.4290 4.4391 4.7842 4.7972 4.8890 4.8999 4.9889 5.0026 5.1861 5.2006 5.3954 5.4013 7.9330 7.9398 10.8443 10.9576 11.1841 11.2121 11.5470 11.6126 12.2450 12.3190 k = 0.6867-0.1469-0.1010 ( 12744 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0237 -13.0203 -11.4852 -11.4819 -11.2919 -11.2874 -11.0552 -11.0455 -10.4938 -10.4870 -10.3321 -10.3289 -3.8766 -3.8728 -0.0188 0.0479 0.4679 0.5402 0.7432 0.7675 2.0383 2.0456 2.6365 2.6415 2.8494 2.8586 2.9921 2.9998 3.2338 3.2404 3.5816 3.6007 3.8926 3.9094 4.1075 4.1173 4.3918 4.4006 4.7775 4.7898 4.8747 4.8863 4.9760 4.9905 5.1766 5.1905 5.3892 5.3951 7.8932 7.9000 10.8768 10.9860 11.2211 11.2409 11.5759 11.6397 12.2538 12.3353 k = 0.6977-0.1358-0.0934 ( 12737 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0275 -13.0240 -11.4699 -11.4658 -11.2879 -11.2827 -11.0502 -11.0397 -10.5102 -10.5028 -10.3398 -10.3367 -3.8997 -3.8958 0.0189 0.0878 0.4936 0.5674 0.8009 0.8249 2.0152 2.0223 2.6127 2.6176 2.8580 2.8677 2.9781 2.9861 3.2042 3.2096 3.6131 3.6318 3.8850 3.9004 4.1230 4.1315 4.3530 4.3603 4.7716 4.7830 4.8573 4.8686 4.9684 4.9828 5.1673 5.1805 5.3823 5.3881 7.8544 7.8613 10.9088 11.0141 11.2549 11.2683 11.6049 11.6659 12.2639 12.3543 k = 0.7087-0.1247-0.0858 ( 12741 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0314 -13.0277 -11.4543 -11.4493 -11.2838 -11.2780 -11.0461 -11.0346 -10.5258 -10.5178 -10.3477 -10.3447 -3.9219 -3.9179 0.0575 0.1285 0.5185 0.5939 0.8587 0.8823 1.9925 1.9994 2.5846 2.5891 2.8631 2.8737 2.9623 2.9716 3.1808 3.1855 3.6440 3.6620 3.8779 3.8919 4.1405 4.1481 4.3136 4.3196 4.7661 4.7761 4.8380 4.8487 4.9646 4.9785 5.1584 5.1710 5.3746 5.3803 7.8168 7.8240 10.9402 11.0420 11.2847 11.2943 11.6333 11.6910 12.2756 12.3762 k = 0.7197-0.1136-0.0781 ( 12750 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0353 -13.0314 -11.4385 -11.4324 -11.2797 -11.2731 -11.0431 -11.0306 -10.5403 -10.5317 -10.3557 -10.3529 -3.9431 -3.9390 0.0968 0.1700 0.5429 0.6201 0.9151 0.9383 1.9702 1.9770 2.5525 2.5566 2.8606 2.8723 2.9494 2.9609 3.1637 3.1683 3.6738 3.6908 3.8711 3.8842 4.1586 4.1651 4.2758 4.2803 4.7600 4.7671 4.8193 4.8294 4.9632 4.9764 5.1505 5.1623 5.3661 5.3718 7.7808 7.7885 10.9711 11.0694 11.3101 11.3189 11.6605 11.7146 12.2890 12.4011 k = 0.7306-0.1025-0.0705 ( 12749 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0391 -13.0350 -11.4227 -11.4154 -11.2756 -11.2683 -11.0413 -11.0277 -10.5534 -10.5443 -10.3639 -10.3612 -3.9632 -3.9591 0.1366 0.2119 0.5669 0.6461 0.9688 0.9915 1.9485 1.9551 2.5178 2.5215 2.8465 2.8585 2.9451 2.9583 3.1525 3.1577 3.7015 3.7174 3.8644 3.8777 4.1738 4.1769 4.2448 4.2474 4.7511 4.7540 4.8036 4.8151 4.9629 4.9755 5.1439 5.1547 5.3569 5.3625 7.7467 7.7551 11.0013 11.0963 11.3314 11.3418 11.6856 11.7364 12.3043 12.4289 k = 0.7416-0.0914-0.0629 ( 12735 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0429 -13.0387 -11.4069 -11.3983 -11.2715 -11.2633 -11.0409 -11.0262 -10.5647 -10.5552 -10.3721 -10.3696 -3.9821 -3.9779 0.1768 0.2541 0.5907 0.6719 1.0182 1.0402 1.9271 1.9335 2.4823 2.4857 2.8221 2.8332 2.9493 2.9629 3.1469 3.1529 3.7256 3.7403 3.8582 3.8730 4.1665 4.1730 4.2313 4.2410 4.7349 4.7383 4.7932 4.8079 4.9629 4.9749 5.1390 5.1489 5.3470 5.3525 7.7148 7.7238 11.0308 11.1225 11.3493 11.3622 11.7077 11.7562 12.3217 12.4593 k = 0.7526-0.0803-0.0552 ( 12733 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0467 -13.0424 -11.3914 -11.3813 -11.2673 -11.2585 -11.0418 -11.0260 -10.5741 -10.5642 -10.3805 -10.3783 -3.9996 -3.9954 0.2172 0.2964 0.6142 0.6974 1.0617 1.0830 1.9062 1.9122 2.4481 2.4513 2.7908 2.8007 2.9577 2.9713 3.1465 3.1533 3.7436 3.7569 3.8546 3.8710 4.1387 4.1490 4.2435 4.2566 4.7142 4.7200 4.7886 4.8059 4.9625 4.9741 5.1365 5.1452 5.3366 5.3419 7.6853 7.6951 11.0594 11.1478 11.3645 11.3799 11.7263 11.7734 12.3411 12.4918 k = 0.7636-0.0692-0.0476 ( 12734 PWs) bands (ev): -37.3184 -37.3184 -36.7225 -36.7225 -13.0504 -13.0460 -11.3765 -11.3646 -11.2632 -11.2536 -11.0439 -11.0271 -10.5814 -10.5713 -10.3889 -10.3870 -4.0157 -4.0114 0.2575 0.3383 0.6377 0.7226 1.0976 1.1181 1.8856 1.8912 2.4177 2.4210 2.7549 2.7638 2.9680 2.9815 3.1505 3.1582 3.7523 3.7632 3.8569 3.8731 4.1089 4.1211 4.2636 4.2779 4.6935 4.7002 4.7882 4.8071 4.9614 4.9727 5.1364 5.1439 5.3257 5.3309 7.6585 7.6690 11.0871 11.1721 11.3770 11.3950 11.7408 11.7878 12.3627 12.5257 Writing output data file Li2ZrTeO6.save init_run : 1.22s CPU 0.81s WALL ( 1 calls) electrons : 571.17s CPU 422.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 571.16s CPU 422.90s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.65s CPU 0.65s WALL ( 271 calls) cegterg : 483.56s CPU 372.81s WALL ( 542 calls) Called by sum_band: Called by *egterg: h_psi : 402.02s CPU 264.98s WALL ( 7620 calls) s_psi : 15.48s CPU 12.46s WALL ( 7620 calls) g_psi : 0.94s CPU 0.94s WALL ( 6807 calls) cdiaghg : 74.23s CPU 71.93s WALL ( 7078 calls) cegterg:over : 22.62s CPU 22.18s WALL ( 6807 calls) cegterg:upda : 20.94s CPU 20.27s WALL ( 6807 calls) cegterg:last : 11.00s CPU 11.07s WALL ( 1355 calls) cdiaghg:chol : 4.16s CPU 4.17s WALL ( 7078 calls) cdiaghg:inve : 3.03s CPU 2.86s WALL ( 7078 calls) cdiaghg:para : 4.67s CPU 4.50s WALL ( 14156 calls) Called by h_psi: h_psi:vloc : 365.68s CPU 234.50s WALL ( 7620 calls) h_psi:vnl : 35.14s CPU 29.45s WALL ( 7620 calls) add_vuspsi : 17.28s CPU 14.19s WALL ( 7620 calls) General routines calbec : 17.81s CPU 15.24s WALL ( 7620 calls) fft : 0.06s CPU 0.04s WALL ( 15 calls) fftw : 348.32s CPU 219.33s WALL ( 1041428 calls) davcio : 0.40s CPU 2.48s WALL ( 542 calls) Parallel routines fft_scatter : 108.86s CPU 88.42s WALL ( 1041443 calls) PWSCF : 10m 5.40s CPU 8m 0.70s WALL This run was terminated on: 4:20:12 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=